1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine

C33H25N3O — CID 88873160

IUPAC1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine
SMILESCN(c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1)c1cccc(N=O)c1
InChIInChI=1S/C33H25N3O/c1-35(31-12-6-11-28(23-31)34-37)29-17-19-30(20-18-29)36(32-15-13-24-7-2-4-9-26(24)21-32)33-16-14-25-8-3-5-10-27(25)22-33/h2-23H,1H3
InChIKeyRPTLYDJTLZIROF-UHFFFAOYSA-N
MW479.58 g/mol
LogP9.63
Rot. Bonds6

About 1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine

1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine (PubChem CID 88873160) has the molecular formula C33H25N3O and a molecular weight of 479.58 g/mol. Its IUPAC name is 1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine
PubChem CID88873160
Molecular FormulaC33H25N3O
Molecular Weight479.58 g/mol
Exact Mass479.20
IUPAC Name1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine
SMILESCN(c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1)c1cccc(N=O)c1
InChIInChI=1S/C33H25N3O/c1-35(31-12-6-11-28(23-31)34-37)29-17-19-30(20-18-29)36(32-15-13-24-7-2-4-9-26(24)21-32)33-16-14-25-8-3-5-10-27(25)22-33/h2-23H,1H3
InChIKeyRPTLYDJTLZIROF-UHFFFAOYSA-N
XLogP9.63
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-methyl-1-N-(3-nitrosophenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 88873176
1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine
CID 88873158
1-N-methyl-4-N-naphthalen-1-yl-1-N-(3-nitrosophenyl)-4-N-(3-phenylphenyl)benzene-1,4-diamine
CID 88873277
N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 59431625
N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59431911
1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N,4-N,4-N-trinaphthalen-2-ylbenzene-1,4-diamine
CID 159683309
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylnaphthalen-2-amine;N-[4-[4-(N-methyl-4-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 161479413
N-methyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-2-amine;N-methyl-4-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 158523438
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 59431830
N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 160743025
N-methyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anthracen-2-amine
CID 59431583
N-methyl-N-phenylaniline;4-naphthalen-2-yl-N,N-diphenylaniline
CID 145077482

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine (CID 88873160) is 1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine is CN(c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1)c1cccc(N=O)c1.
What is the InChIKey of 1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine?
The InChIKey is RPTLYDJTLZIROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3O/c1-35(31-12-6-11-28(23-31)34-37)29-17-19-30(20-18-29)36(32-15-13-24-7-2-4-9-26(24)21-32)33-16-14-25-8-3-5-10-27(25)22-33/h2-23H,1H3.
What are the key properties of 1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine?
1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine has a molecular weight of 479.58 g/mol, XLogP of 9.63, 6 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,4-N-dinaphthalen-2-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine is sourced from PubChem (CID 88873160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).