1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrophenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,4-diamine

C100H78N8O5 — CID 159509290

IUPAC1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrophenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,4-diamine
SMILESCN(c1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1)c1ccc([N+](=O)[O-])cc1.CN(c1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1)c1cccc([N+](=O)[O-])c1.COc1cccc(N(C)c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)c1
InChIInChI=1S/C34H28N2O.2C33H25N3O2/c1-35(29-14-9-15-30(24-29)37-2)27-20-22-28(23-21-27)36(33-18-7-12-25-10-3-5-16-31(25)33)34-19-8-13-26-11-4-6-17-32(26)34;1-34(28-13-8-14-29(23-28)36(37)38)26-19-21-27(22-20-26)35(32-17-6-11-24-9-2-4-15-30(24)32)33-18-7-12-25-10-3-5-16-31(25)33;1-34(27-18-22-29(23-19-27)36(37)38)26-16-20-28(21-17-26)35(32-14-6-10-24-8-2-4-12-30(24)32)33-15-7-11-25-9-3-5-13-31(25)33/h3-24H,1-2H3;2*2-23H,1H3
InChIKeyMAJWGJJVCFXCNF-UHFFFAOYSA-N
MW1471.77 g/mol
LogP27.52
Rot. Bonds18

About 1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrophenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,4-diamine

1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrophenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,4-diamine (PubChem CID 159509290) has the molecular formula C100H78N8O5 and a molecular weight of 1471.77 g/mol. Its IUPAC name is 1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrophenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrophenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,4-diamine
PubChem CID159509290
Molecular FormulaC100H78N8O5
Molecular Weight1471.77 g/mol
Exact Mass1470.61
IUPAC Name1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrophenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,4-diamine
SMILESCN(c1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1)c1ccc([N+](=O)[O-])cc1.CN(c1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1)c1cccc([N+](=O)[O-])c1.COc1cccc(N(C)c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)c1
InChIInChI=1S/C34H28N2O.2C33H25N3O2/c1-35(29-14-9-15-30(24-29)37-2)27-20-22-28(23-21-27)36(33-18-7-12-25-10-3-5-16-31(25)33)34-19-8-13-26-11-4-6-17-32(26)34;1-34(28-13-8-14-29(23-28)36(37)38)26-19-21-27(22-20-26)35(32-17-6-11-24-9-2-4-15-30(24)32)33-18-7-12-25-10-3-5-16-31(25)33;1-34(27-18-22-29(23-19-27)36(37)38)26-16-20-28(21-17-26)35(32-14-6-10-24-8-2-4-12-30(24)32)33-15-7-11-25-9-3-5-13-31(25)33/h3-24H,1-2H3;2*2-23H,1H3
InChIKeyMAJWGJJVCFXCNF-UHFFFAOYSA-N
XLogP27.52
TPSA114.95 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001471.77
LogP ≤ 527.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrophenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,4-diamine with MolForge

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Related Compounds

1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N-(4-methoxyphenyl)-1-N-methyl-4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,4-diamine
CID 159017277
1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine;1-N-(4-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N-(4-nitrophenyl)-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 158367114
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 59431567
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 161212613
N-[4-[4-(N-methyl-3-nitroanilino)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 59431971
1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-naphthalen-2-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 158106660
N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431945
N-naphthalen-1-yl-4-(4-nitrophenyl)-N-phenylnaphthalen-1-amine
CID 59181302
1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine
CID 88873158
1-N,3-N,5-N-tris(4-methoxyphenyl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine
CID 59907395
N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 160664392
N-[4-[4-(N-methyl-3-nitroanilino)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-[4-(N-methyl-4-nitroanilino)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;4-[N-methyl-4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]anilino]benzonitrile
CID 159699120

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrophenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,4-diamine?
The IUPAC name of 1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrophenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,4-diamine (CID 159509290) is 1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrophenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrophenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrophenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,4-diamine is CN(c1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1)c1ccc([N+](=O)[O-])cc1.CN(c1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1)c1cccc([N+](=O)[O-])c1.COc1cccc(N(C)c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)c1.
What is the InChIKey of 1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrophenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,4-diamine?
The InChIKey is MAJWGJJVCFXCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O.2C33H25N3O2/c1-35(29-14-9-15-30(24-29)37-2)27-20-22-28(23-21-27)36(33-18-7-12-25-10-3-5-16-31(25)33)34-19-8-13-26-11-4-6-17-32(26)34;1-34(28-13-8-14-29(23-28)36(37)38)26-19-21-27(22-20-26)35(32-17-6-11-24-9-2-4-15-30(24)32)33-18-7-12-25-10-3-5-16-31(25)33;1-34(27-18-22-29(23-19-27)36(37)38)26-16-20-28(21-17-26)35(32-14-6-10-24-8-2-4-12-30(24)32)33-15-7-11-25-9-3-5-13-31(25)33/h3-24H,1-2H3;2*2-23H,1H3.
What are the key properties of 1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrophenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,4-diamine?
1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrophenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,4-diamine has a molecular weight of 1471.77 g/mol, XLogP of 27.52, 18 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrophenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,4-diamine is sourced from PubChem (CID 159509290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).