N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine

C52H35N — CID 170141177

IUPACN-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccccc2N(c2cccc(-c3cccc(-c4cc5c6ccccc6ccc5c5ccccc45)c3)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C52H35N/c1-2-15-37(16-3-1)46-24-10-11-27-52(46)53(44-30-28-36-14-4-5-18-40(36)33-44)43-22-13-20-41(34-43)39-19-12-21-42(32-39)50-35-51-45-23-7-6-17-38(45)29-31-49(51)47-25-8-9-26-48(47)50/h1-35H
InChIKeySUTFRRHJBNFFKC-UHFFFAOYSA-N
MW673.86 g/mol
LogP14.77
Rot. Bonds6

About N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine

N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine (PubChem CID 170141177) has the molecular formula C52H35N and a molecular weight of 673.86 g/mol. Its IUPAC name is N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine
PubChem CID170141177
Molecular FormulaC52H35N
Molecular Weight673.86 g/mol
Exact Mass673.28
IUPAC NameN-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccccc2N(c2cccc(-c3cccc(-c4cc5c6ccccc6ccc5c5ccccc45)c3)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C52H35N/c1-2-15-37(16-3-1)46-24-10-11-27-52(46)53(44-30-28-36-14-4-5-18-40(36)33-44)43-22-13-20-41(34-43)39-19-12-21-42(32-39)50-35-51-45-23-7-6-17-38(45)29-31-49(51)47-25-8-9-26-48(47)50/h1-35H
InChIKeySUTFRRHJBNFFKC-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.86
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-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-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170141496
6-chrysen-1-yl-N-[4-[3-[4-[1-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]chrysen-6-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 170141997
N-naphthalen-2-yl-N-(2-phenylphenyl)chrysen-6-amine
CID 170135515
N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 170135686
N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)triphenylen-2-amine;N-(4-phenanthren-2-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine;N-(4-phenanthren-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-2-amine;N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)phenanthren-2-amine;N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 163563772
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-[4-(4-chrysen-6-ylphenyl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
CID 170141173
N-(3-benzo[c]phenanthren-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine
CID 171054315
N-[4-[1-[3-(N-naphthalen-2-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 122416704
N-naphthalen-1-yl-N-[3-(3-triphenylen-1-ylphenyl)phenyl]naphthalen-2-amine
CID 153357571
N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine
CID 166845854
N-[4-(3-chrysen-1-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170142122

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine (CID 170141177) is N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccccc2N(c2cccc(-c3cccc(-c4cc5c6ccccc6ccc5c5ccccc45)c3)c2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine?
The InChIKey is SUTFRRHJBNFFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N/c1-2-15-37(16-3-1)46-24-10-11-27-52(46)53(44-30-28-36-14-4-5-18-40(36)33-44)43-22-13-20-41(34-43)39-19-12-21-42(32-39)50-35-51-45-23-7-6-17-38(45)29-31-49(51)47-25-8-9-26-48(47)50/h1-35H.
What are the key properties of N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine?
N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine has a molecular weight of 673.86 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 170141177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).