1-N-methyl-4-N-naphthalen-1-yl-1-N-(3-nitrosophenyl)-4-N-(3-phenylphenyl)benzene-1,4-diamine

C35H27N3O — CID 88873277

IUPAC1-N-methyl-4-N-naphthalen-1-yl-1-N-(3-nitrosophenyl)-4-N-(3-phenylphenyl)benzene-1,4-diamine
SMILESCN(c1ccc(N(c2cccc(-c3ccccc3)c2)c2cccc3ccccc23)cc1)c1cccc(N=O)c1
InChIInChI=1S/C35H27N3O/c1-37(32-16-9-15-29(25-32)36-39)30-20-22-31(23-21-30)38(35-19-8-13-27-12-5-6-18-34(27)35)33-17-7-14-28(24-33)26-10-3-2-4-11-26/h2-25H,1H3
InChIKeyMOFXNCLDIBVIQQ-UHFFFAOYSA-N
MW505.62 g/mol
LogP10.14
Rot. Bonds7

About 1-N-methyl-4-N-naphthalen-1-yl-1-N-(3-nitrosophenyl)-4-N-(3-phenylphenyl)benzene-1,4-diamine

1-N-methyl-4-N-naphthalen-1-yl-1-N-(3-nitrosophenyl)-4-N-(3-phenylphenyl)benzene-1,4-diamine (PubChem CID 88873277) has the molecular formula C35H27N3O and a molecular weight of 505.62 g/mol. Its IUPAC name is 1-N-methyl-4-N-naphthalen-1-yl-1-N-(3-nitrosophenyl)-4-N-(3-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N-naphthalen-1-yl-1-N-(3-nitrosophenyl)-4-N-(3-phenylphenyl)benzene-1,4-diamine
PubChem CID88873277
Molecular FormulaC35H27N3O
Molecular Weight505.62 g/mol
Exact Mass505.22
IUPAC Name1-N-methyl-4-N-naphthalen-1-yl-1-N-(3-nitrosophenyl)-4-N-(3-phenylphenyl)benzene-1,4-diamine
SMILESCN(c1ccc(N(c2cccc(-c3ccccc3)c2)c2cccc3ccccc23)cc1)c1cccc(N=O)c1
InChIInChI=1S/C35H27N3O/c1-37(32-16-9-15-29(25-32)36-39)30-20-22-31(23-21-30)38(35-19-8-13-27-12-5-6-18-34(27)35)33-17-7-14-28(24-33)26-10-3-2-4-11-26/h2-25H,1H3
InChIKeyMOFXNCLDIBVIQQ-UHFFFAOYSA-N
XLogP10.14
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.62
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine
CID 88873158
N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine;N-methyl-N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]naphthalen-2-amine
CID 159163258
1-N-methyl-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylphenyl)benzene-1,4-diamine
CID 59431943
1-N-methyl-1-N-(3-nitrosophenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 88873176
N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431752
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 59431567
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
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-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431746
1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine
CID 88873160
1-N-methyl-4-N,4-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N-naphthalen-1-yl-4-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-1-N-naphthalen-2-yl-4-N,4-N-diphenylbenzene-1,4-diamine
CID 159975441

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-naphthalen-1-yl-1-N-(3-nitrosophenyl)-4-N-(3-phenylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N-naphthalen-1-yl-1-N-(3-nitrosophenyl)-4-N-(3-phenylphenyl)benzene-1,4-diamine (CID 88873277) is 1-N-methyl-4-N-naphthalen-1-yl-1-N-(3-nitrosophenyl)-4-N-(3-phenylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N-naphthalen-1-yl-1-N-(3-nitrosophenyl)-4-N-(3-phenylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N-naphthalen-1-yl-1-N-(3-nitrosophenyl)-4-N-(3-phenylphenyl)benzene-1,4-diamine is CN(c1ccc(N(c2cccc(-c3ccccc3)c2)c2cccc3ccccc23)cc1)c1cccc(N=O)c1.
What is the InChIKey of 1-N-methyl-4-N-naphthalen-1-yl-1-N-(3-nitrosophenyl)-4-N-(3-phenylphenyl)benzene-1,4-diamine?
The InChIKey is MOFXNCLDIBVIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N3O/c1-37(32-16-9-15-29(25-32)36-39)30-20-22-31(23-21-30)38(35-19-8-13-27-12-5-6-18-34(27)35)33-17-7-14-28(24-33)26-10-3-2-4-11-26/h2-25H,1H3.
What are the key properties of 1-N-methyl-4-N-naphthalen-1-yl-1-N-(3-nitrosophenyl)-4-N-(3-phenylphenyl)benzene-1,4-diamine?
1-N-methyl-4-N-naphthalen-1-yl-1-N-(3-nitrosophenyl)-4-N-(3-phenylphenyl)benzene-1,4-diamine has a molecular weight of 505.62 g/mol, XLogP of 10.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-naphthalen-1-yl-1-N-(3-nitrosophenyl)-4-N-(3-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 88873277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).