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

C37H29N3O — CID 88873176

IUPAC1-N-methyl-1-N-(3-nitrosophenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
SMILESCN(c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1)c1cccc(N=O)c1
InChIInChI=1S/C37H29N3O/c1-39(37-14-8-13-32(27-37)38-41)33-23-25-36(26-24-33)40(34-19-15-30(16-20-34)28-9-4-2-5-10-28)35-21-17-31(18-22-35)29-11-6-3-7-12-29/h2-27H,1H3
InChIKeyCTIOXDCMAISOGF-UHFFFAOYSA-N
MW531.66 g/mol
LogP10.66
Rot. Bonds8

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

1-N-methyl-1-N-(3-nitrosophenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine (PubChem CID 88873176) has the molecular formula C37H29N3O and a molecular weight of 531.66 g/mol. Its IUPAC name is 1-N-methyl-1-N-(3-nitrosophenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(3-nitrosophenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
PubChem CID88873176
Molecular FormulaC37H29N3O
Molecular Weight531.66 g/mol
Exact Mass531.23
IUPAC Name1-N-methyl-1-N-(3-nitrosophenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
SMILESCN(c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1)c1cccc(N=O)c1
InChIInChI=1S/C37H29N3O/c1-39(37-14-8-13-32(27-37)38-41)33-23-25-36(26-24-33)40(34-19-15-30(16-20-34)28-9-4-2-5-10-28)35-21-17-31(18-22-35)29-11-6-3-7-12-29/h2-27H,1H3
InChIKeyCTIOXDCMAISOGF-UHFFFAOYSA-N
XLogP10.66
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.66
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-naphthalen-1-yl-1-N-(3-nitrosophenyl)-4-N-(3-phenylphenyl)benzene-1,4-diamine
CID 88873277
1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine
CID 88873158
N-(4-nitrosophenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 176915624
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-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
N-methyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anthracen-2-amine
CID 59431583
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-(N-methyl-3-nitroanilino)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 59431971
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

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(3-nitrosophenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N-methyl-1-N-(3-nitrosophenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine (CID 88873176) is 1-N-methyl-1-N-(3-nitrosophenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(3-nitrosophenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-methyl-1-N-(3-nitrosophenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine is CN(c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1)c1cccc(N=O)c1.
What is the InChIKey of 1-N-methyl-1-N-(3-nitrosophenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine?
The InChIKey is CTIOXDCMAISOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N3O/c1-39(37-14-8-13-32(27-37)38-41)33-23-25-36(26-24-33)40(34-19-15-30(16-20-34)28-9-4-2-5-10-28)35-21-17-31(18-22-35)29-11-6-3-7-12-29/h2-27H,1H3.
What are the key properties of 1-N-methyl-1-N-(3-nitrosophenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine?
1-N-methyl-1-N-(3-nitrosophenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine has a molecular weight of 531.66 g/mol, XLogP of 10.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(3-nitrosophenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 88873176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).