4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-amine

C50H33N — CID 170141734

IUPAC4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3ccc4ccc5c6ccccc6ccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C50H33N/c1-2-14-39(15-3-1)51(40-27-23-36(24-28-40)42-20-10-13-34-11-4-6-16-41(34)42)50-32-31-44(45-18-8-9-19-48(45)50)38-22-21-37-26-29-46-43-17-7-5-12-35(43)25-30-47(46)49(37)33-38/h1-33H
InChIKeyQZNJKBXHVHPNKL-UHFFFAOYSA-N
MW647.82 g/mol
LogP14.26
Rot. Bonds5

About 4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-amine

4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-amine (PubChem CID 170141734) has the molecular formula C50H33N and a molecular weight of 647.82 g/mol. Its IUPAC name is 4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound Name4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-amine
PubChem CID170141734
Molecular FormulaC50H33N
Molecular Weight647.82 g/mol
Exact Mass647.26
IUPAC Name4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3ccc4ccc5c6ccccc6ccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C50H33N/c1-2-14-39(15-3-1)51(40-27-23-36(24-28-40)42-20-10-13-34-11-4-6-16-41(34)42)50-32-31-44(45-18-8-9-19-48(45)50)38-22-21-37-26-29-46-43-17-7-5-12-35(43)25-30-47(46)49(37)33-38/h1-33H
InChIKeyQZNJKBXHVHPNKL-UHFFFAOYSA-N
XLogP14.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.82
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-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-naphthalen-1-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine
CID 168809817
4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 170141564
N-(4-chrysen-3-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline
CID 170141031
4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170142135
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline
CID 167236233
5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167236645
2-chrysen-3-yl-N,N-bis(4-phenylphenyl)aniline
CID 170141194
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-(2-phenylphenyl)-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-yl]phenanthren-9-amine
CID 157359441
4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176588104
4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170140942
N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 167234610
N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 167235524

Frequently Asked Questions

What is the IUPAC name of 4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-amine?
The IUPAC name of 4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-amine (CID 170141734) is 4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-amine.
What is the SMILES notation for 4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-amine?
The canonical SMILES for 4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-amine is c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3ccc4ccc5c6ccccc6ccc5c4c3)c3ccccc23)cc1.
What is the InChIKey of 4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-amine?
The InChIKey is QZNJKBXHVHPNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N/c1-2-14-39(15-3-1)51(40-27-23-36(24-28-40)42-20-10-13-34-11-4-6-16-41(34)42)50-32-31-44(45-18-8-9-19-48(45)50)38-22-21-37-26-29-46-43-17-7-5-12-35(43)25-30-47(46)49(37)33-38/h1-33H.
What are the key properties of 4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-amine?
4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-amine has a molecular weight of 647.82 g/mol, XLogP of 14.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 170141734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).