N-methyl-N-(4-phenylphenyl)chrysen-6-amine

C31H23N — CID 139546740

IUPACN-methyl-N-(4-phenylphenyl)chrysen-6-amine
SMILESCN(c1ccc(-c2ccccc2)cc1)c1cc2c3ccccc3ccc2c2ccccc12
InChIInChI=1S/C31H23N/c1-32(25-18-15-23(16-19-25)22-9-3-2-4-10-22)31-21-30-26-12-6-5-11-24(26)17-20-28(30)27-13-7-8-14-29(27)31/h2-21H,1H3
InChIKeyZGYNEQJDKMWZKE-UHFFFAOYSA-N
MW409.53 g/mol
LogP8.58
Rot. Bonds3

About N-methyl-N-(4-phenylphenyl)chrysen-6-amine

N-methyl-N-(4-phenylphenyl)chrysen-6-amine (PubChem CID 139546740) has the molecular formula C31H23N and a molecular weight of 409.53 g/mol. Its IUPAC name is N-methyl-N-(4-phenylphenyl)chrysen-6-amine.

Molecular Properties

Compound NameN-methyl-N-(4-phenylphenyl)chrysen-6-amine
PubChem CID139546740
Molecular FormulaC31H23N
Molecular Weight409.53 g/mol
Exact Mass409.18
IUPAC NameN-methyl-N-(4-phenylphenyl)chrysen-6-amine
SMILESCN(c1ccc(-c2ccccc2)cc1)c1cc2c3ccccc3ccc2c2ccccc12
InChIInChI=1S/C31H23N/c1-32(25-18-15-23(16-19-25)22-9-3-2-4-10-22)31-21-30-26-12-6-5-11-24(26)17-20-28(30)27-13-7-8-14-29(27)31/h2-21H,1H3
InChIKeyZGYNEQJDKMWZKE-UHFFFAOYSA-N
XLogP8.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenanthren-9-amine
CID 59431534
bis(N-methyl-N,4-diphenylaniline);N-methyl-N-phenylaniline;N-methyl-N-phenylnaphthalen-1-amine;N-methyl-N-phenylnaphthalen-2-amine;N-methyl-N-phenylphenanthren-9-amine;N-methyl-N-(4-phenylphenyl)naphthalen-1-amine;N-methyl-N-(4-phenylphenyl)naphthalen-2-amine;N-methyl-N-(4-phenylphenyl)phenanthren-9-amine;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 159782729
6-N,12-N-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine
CID 86226207
N-methyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 70877197
N-methyl-N-phenylphenanthren-9-amine
CID 22944746
N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135249
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylphenanthren-9-amine
CID 59431968
4-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 170141665
N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine
CID 170135539
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135464
1-N-anthracen-2-yl-1-N-methyl-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-perylen-3-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-phenanthren-9-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 157084085
1-N-methyl-1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431801

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-phenylphenyl)chrysen-6-amine?
The IUPAC name of N-methyl-N-(4-phenylphenyl)chrysen-6-amine (CID 139546740) is N-methyl-N-(4-phenylphenyl)chrysen-6-amine.
What is the SMILES notation for N-methyl-N-(4-phenylphenyl)chrysen-6-amine?
The canonical SMILES for N-methyl-N-(4-phenylphenyl)chrysen-6-amine is CN(c1ccc(-c2ccccc2)cc1)c1cc2c3ccccc3ccc2c2ccccc12.
What is the InChIKey of N-methyl-N-(4-phenylphenyl)chrysen-6-amine?
The InChIKey is ZGYNEQJDKMWZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N/c1-32(25-18-15-23(16-19-25)22-9-3-2-4-10-22)31-21-30-26-12-6-5-11-24(26)17-20-28(30)27-13-7-8-14-29(27)31/h2-21H,1H3.
What are the key properties of N-methyl-N-(4-phenylphenyl)chrysen-6-amine?
N-methyl-N-(4-phenylphenyl)chrysen-6-amine has a molecular weight of 409.53 g/mol, XLogP of 8.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-phenylphenyl)chrysen-6-amine is sourced from PubChem (CID 139546740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).