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Reference substances

Currently viewing:
IUPAC name:
3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione

Inventory

EC number:
201-346-7
EC name:
3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione
CAS number:
81-39-0
CAS number:
81-39-0
Synonyms
Names:
3H-Dibenz[f,ij]isoquinoline-2,7-dione, 3-methyl-6-[(4-methylphenyl)amino]-
3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 3-methyl-6-[(4-methylphenyl)amino]-
3h-dibenz_f,ij_isoquinoline-2,7-dione,_3-methyl-6-_(4-methylphenyl)amino_-
Identifier:
IUPAC name
14-methyl-10-[(4-methylphenyl)amino]-14-azatetracyclo [7.7.1.0²,⁷.0¹³,¹⁷]heptadeca1(16),2(7),3,5,9,11,13(17)-heptaene-8,15- dione
Identifier:
IUPAC name
14-methyl-10-[(4-methylphenyl)amino]-14-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaene-8,15-dione
Identifier:
IUPAC name
14-methyl-10-[(4-methylphenyl)amino]-14-azatetracyclo [7.7.1.0²,⁷.0¹³,¹⁷]heptadeca1(16),2(7),3,5,9,11,13(17)-heptaene-8,15- dione
Identifier:
IUPAC name
14-methyl-10-[(4-methylphenyl)amino]-14-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaene-8,15-dione
Identifier:
Colour Index
Solvent Red 52
Identifier:
other: InChl
1S/C24H18N2O2/c1-14-7-9-15(10-8-14)25-19-11-12-20-22-18(13-21(27)26(20)2)16-5-3-4-6-17(16)24(28)23(19)22/h3-13,25H,1-2H3 AuxInfo=1/0/N:28,20,13,12,14,11,26,27,24,25,16,15,6,23,22,8,9,3,17,4,5,2,7,10,21,1,18,19/E:(7,8)(9,10)/rA:28NCCCCCCCCCCCCCCCCOOCNCCCCCCC/rB:;s2;s1d-2;s1;d-3s5;s2;s3;d-8;s7s9;s9;d-11;s12;s8d-13;s4;d-15;d-7s16;d5;d10;s1;s17;s21;;d+22;s22;d-23s24;s23d-25;s23;/rC:10.5034,-3.08,0;7.8184,-3.08,0;7.8184,-4.7384,0;9.2399,-2.3691,0;10.5034,-4.5805,0;9.2399,-5.4491,0;6.5547,-2.3691,0;6.5547,-5.4491,0;5.1728,-4.7384,0;5.1728,-3.08,0;3.9091,-5.4491,0;3.9091,-6.9891,0;5.1728,-7.6999,0;6.5547,-6.9891,0;9.2399,-.8293,0;7.8184,0,0;6.5547,-.8293,0;11.8459,-5.3307,0;3.8697,-2.2507,0;11.8065,-2.2902,0;5.2122,-.1185,0;3.9091,-.9082,0;1.3031,-2.5666,0;3.9881,-2.4481,0;2.5666,-.1975,0;2.6851,-3.2774,0;1.2241,-1.0266,0;0,-3.3563,0
Identifier:
other: SMILES notation
CN1C(=O)C=C2C3=C(C=CC=C3)C(=O)C3=C(NC4=CC=C(C)C=C4)C=CC1=C23
Identifier:
other: SMILES notation
CN1C(=O)C=C2C3=C(C=CC=C3)C(=O)C3=C(NC4=CC=C(C)C=C4)C=CC1=C23
Identifier:
other: InChl
InChI=1S/C24H18N2O2/c1-14-7-9-15(10-8-14)25-19-11-12-20-22-18(13-21(27)26(20)2)16-5-3-4-6-17(16)24(28)23(19)22/h3-13,25H,1-2H3
Identifier:
other: SMILES notation
O=C(N(c(c(c(c(Nc(ccc(c1)C)c1)c2)C(=O)c(c3ccc4)c4)C3=5)c2)C)C5
3-methyl-6-[(4-methylphenyl)amino]-3H-naphtho[1,2,3-de]quinoline-2,7-dione

Molecular and structural information

Molecular formula:
C24H18N2O2
Molecular weight:
366.412
SMILES notation:
CN1C(=O)C=C2c3ccccc3C(=O)c4c(Nc5ccc(C)cc5)ccc1c24
InChl:
InChI=1/C24H18N2O2/c1-14-7-9-15(10-8-14)25-19-11-12-20-22-18(13-21(27)26(20)2)16-5-3-4-6-17(16)24(28)23(19)22/h3-13,25H,1-2H3
Structural formula:
Chemical structure

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