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

C101H81N7O4 — CID 159017277

IUPAC1-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
SMILESCN(c1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1)c1ccc([N+](=O)[O-])cc1.COc1ccc(N(C)c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)cc1.COc1cccc(N(C)c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)c1
InChIInChI=1S/2C34H28N2O.C33H25N3O2/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;1-35(28-21-23-30(37-2)24-22-28)27-17-19-29(20-18-27)36(33-15-7-11-25-9-3-5-13-31(25)33)34-16-8-12-26-10-4-6-14-32(26)34;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/h2*3-24H,1-2H3;2-23H,1H3
InChIKeyJTGDOCTVZFUTNW-UHFFFAOYSA-N
MW1456.80 g/mol
LogP27.62
Rot. Bonds18

About 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

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 (PubChem CID 159017277) has the molecular formula C101H81N7O4 and a molecular weight of 1456.80 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-(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.

Molecular Properties

Compound Name1-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
PubChem CID159017277
Molecular FormulaC101H81N7O4
Molecular Weight1456.80 g/mol
Exact Mass1455.64
IUPAC Name1-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
SMILESCN(c1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1)c1ccc([N+](=O)[O-])cc1.COc1ccc(N(C)c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)cc1.COc1cccc(N(C)c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)c1
InChIInChI=1S/2C34H28N2O.C33H25N3O2/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;1-35(28-21-23-30(37-2)24-22-28)27-17-19-29(20-18-27)36(33-15-7-11-25-9-3-5-13-31(25)33)34-16-8-12-26-10-4-6-14-32(26)34;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/h2*3-24H,1-2H3;2-23H,1H3
InChIKeyJTGDOCTVZFUTNW-UHFFFAOYSA-N
XLogP27.62
TPSA81.04 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001456.80
LogP ≤ 527.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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-(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 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-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
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-(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-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 59431567
N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431945
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
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-naphthalen-1-yl-4-(4-nitrophenyl)-N-phenylnaphthalen-1-amine
CID 59181302
9-N,15-N-bis(4-methoxyphenyl)-9-N,15-N-bis(4-nitrophenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 171061770
1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine
CID 88873158
N-methyl-4-nitro-N-phenylaniline
CID 11287619

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-(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?
The IUPAC name of 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) is 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.
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-(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?
The canonical SMILES for 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 is CN(c1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1)c1ccc([N+](=O)[O-])cc1.COc1ccc(N(C)c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)cc1.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-(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?
The InChIKey is JTGDOCTVZFUTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H28N2O.C33H25N3O2/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;1-35(28-21-23-30(37-2)24-22-28)27-17-19-29(20-18-27)36(33-15-7-11-25-9-3-5-13-31(25)33)34-16-8-12-26-10-4-6-14-32(26)34;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/h2*3-24H,1-2H3;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-(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?
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 has a molecular weight of 1456.80 g/mol, XLogP of 27.62, 18 rotatable bonds, 0 hydrogen bond donors, and 10 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-(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 is sourced from PubChem (CID 159017277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).