N-naphthalen-2-yl-N-(2-phenylnaphthalen-1-yl)phenanthren-9-amine

C40H27N — CID 164774155

IUPACN-naphthalen-2-yl-N-(2-phenylnaphthalen-1-yl)phenanthren-9-amine
SMILESc1ccc(-c2ccc3ccccc3c2N(c2ccc3ccccc3c2)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C40H27N/c1-2-13-29(14-3-1)36-25-23-30-15-6-9-19-35(30)40(36)41(33-24-22-28-12-4-5-16-31(28)26-33)39-27-32-17-7-8-18-34(32)37-20-10-11-21-38(37)39/h1-27H
InChIKeyWGZSCFDOWQQWGP-UHFFFAOYSA-N
MW521.66 g/mol
LogP11.44
Rot. Bonds4

About N-naphthalen-2-yl-N-(2-phenylnaphthalen-1-yl)phenanthren-9-amine

N-naphthalen-2-yl-N-(2-phenylnaphthalen-1-yl)phenanthren-9-amine (PubChem CID 164774155) has the molecular formula C40H27N and a molecular weight of 521.66 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-(2-phenylnaphthalen-1-yl)phenanthren-9-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-(2-phenylnaphthalen-1-yl)phenanthren-9-amine
PubChem CID164774155
Molecular FormulaC40H27N
Molecular Weight521.66 g/mol
Exact Mass521.21
IUPAC NameN-naphthalen-2-yl-N-(2-phenylnaphthalen-1-yl)phenanthren-9-amine
SMILESc1ccc(-c2ccc3ccccc3c2N(c2ccc3ccccc3c2)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C40H27N/c1-2-13-29(14-3-1)36-25-23-30-15-6-9-19-35(30)40(36)41(33-24-22-28-12-4-5-16-31(28)26-33)39-27-32-17-7-8-18-34(32)37-20-10-11-21-38(37)39/h1-27H
InChIKeyWGZSCFDOWQQWGP-UHFFFAOYSA-N
XLogP11.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.66
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-naphthalen-2-yl-N-(2-phenylnaphthalen-1-yl)phenanthren-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-phenylphenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 163586209
N-naphthalen-2-yl-N-(2-phenylphenyl)chrysen-6-amine
CID 170135515
4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine
CID 160725263
N-(4-naphthalen-2-ylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 121477659
N-(4-naphthalen-2-ylnaphthalen-1-yl)-N-(2-phenylphenyl)chrysen-2-amine
CID 170130600
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 139352901
9,9-dimethyl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-2-N-phenanthren-9-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-7-N-phenyl-2-N-(4-phenylphenyl)-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 162265706
N-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine
CID 176820953
N-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 163909892
N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
CID 155303616
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 156578695
N-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 164529185

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-(2-phenylnaphthalen-1-yl)phenanthren-9-amine?
The IUPAC name of N-naphthalen-2-yl-N-(2-phenylnaphthalen-1-yl)phenanthren-9-amine (CID 164774155) is N-naphthalen-2-yl-N-(2-phenylnaphthalen-1-yl)phenanthren-9-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-(2-phenylnaphthalen-1-yl)phenanthren-9-amine?
The canonical SMILES for N-naphthalen-2-yl-N-(2-phenylnaphthalen-1-yl)phenanthren-9-amine is c1ccc(-c2ccc3ccccc3c2N(c2ccc3ccccc3c2)c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-(2-phenylnaphthalen-1-yl)phenanthren-9-amine?
The InChIKey is WGZSCFDOWQQWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N/c1-2-13-29(14-3-1)36-25-23-30-15-6-9-19-35(30)40(36)41(33-24-22-28-12-4-5-16-31(28)26-33)39-27-32-17-7-8-18-34(32)37-20-10-11-21-38(37)39/h1-27H.
What are the key properties of N-naphthalen-2-yl-N-(2-phenylnaphthalen-1-yl)phenanthren-9-amine?
N-naphthalen-2-yl-N-(2-phenylnaphthalen-1-yl)phenanthren-9-amine has a molecular weight of 521.66 g/mol, XLogP of 11.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-(2-phenylnaphthalen-1-yl)phenanthren-9-amine is sourced from PubChem (CID 164774155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).