N-[4-(4-benzo[c]phenanthren-5-ylphenyl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline

C58H39N — CID 167182064

IUPACN-[4-(4-benzo[c]phenanthren-5-ylphenyl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc6ccc7ccccc7c6c6ccccc56)cc4)cc3)c3ccccc3-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C58H39N/c1-2-12-40(13-3-1)43-30-34-50(35-31-43)59(57-21-11-10-17-52(57)48-28-24-41-14-4-5-16-47(41)38-48)51-36-32-44(33-37-51)42-22-25-46(26-23-42)56-39-49-29-27-45-15-6-7-18-53(45)58(49)55-20-9-8-19-54(55)56/h1-39H
InChIKeyVPAJNWWTGGKXRG-UHFFFAOYSA-N
MW749.96 g/mol
LogP16.44
Rot. Bonds7

About N-[4-(4-benzo[c]phenanthren-5-ylphenyl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline

N-[4-(4-benzo[c]phenanthren-5-ylphenyl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline (PubChem CID 167182064) has the molecular formula C58H39N and a molecular weight of 749.96 g/mol. Its IUPAC name is N-[4-(4-benzo[c]phenanthren-5-ylphenyl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(4-benzo[c]phenanthren-5-ylphenyl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
PubChem CID167182064
Molecular FormulaC58H39N
Molecular Weight749.96 g/mol
Exact Mass749.31
IUPAC NameN-[4-(4-benzo[c]phenanthren-5-ylphenyl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc6ccc7ccccc7c6c6ccccc56)cc4)cc3)c3ccccc3-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C58H39N/c1-2-12-40(13-3-1)43-30-34-50(35-31-43)59(57-21-11-10-17-52(57)48-28-24-41-14-4-5-16-47(41)38-48)51-36-32-44(33-37-51)42-22-25-46(26-23-42)56-39-49-29-27-45-15-6-7-18-53(45)58(49)55-20-9-8-19-54(55)56/h1-39H
InChIKeyVPAJNWWTGGKXRG-UHFFFAOYSA-N
XLogP16.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.96
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[4-(4-benzo[c]phenanthren-5-ylphenyl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline 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-(3-benzo[c]phenanthren-5-ylphenyl)-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 167183480
3-benzo[c]phenanthren-5-yl-N-(2-naphthalen-2-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline
CID 167183800
N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167183106
N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine
CID 171054209
N-(4-benzo[c]phenanthren-5-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 167183664
2-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N,N-bis(4-phenylphenyl)aniline
CID 177100332
N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(2-naphthalen-2-ylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 172501318
3-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167183914
N-(3-benzo[c]phenanthren-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine
CID 171054315
2-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 142614538
N-naphthalen-1-yl-N-[4-[5-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]benzo[c]phenanthren-8-yl]phenyl]naphthalen-2-amine
CID 59282241
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-[4-(4-benzo[c]phenanthren-5-ylphenyl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(4-benzo[c]phenanthren-5-ylphenyl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline (CID 167182064) is N-[4-(4-benzo[c]phenanthren-5-ylphenyl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(4-benzo[c]phenanthren-5-ylphenyl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(4-benzo[c]phenanthren-5-ylphenyl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc6ccc7ccccc7c6c6ccccc56)cc4)cc3)c3ccccc3-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-[4-(4-benzo[c]phenanthren-5-ylphenyl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline?
The InChIKey is VPAJNWWTGGKXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N/c1-2-12-40(13-3-1)43-30-34-50(35-31-43)59(57-21-11-10-17-52(57)48-28-24-41-14-4-5-16-47(41)38-48)51-36-32-44(33-37-51)42-22-25-46(26-23-42)56-39-49-29-27-45-15-6-7-18-53(45)58(49)55-20-9-8-19-54(55)56/h1-39H.
What are the key properties of N-[4-(4-benzo[c]phenanthren-5-ylphenyl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline?
N-[4-(4-benzo[c]phenanthren-5-ylphenyl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline has a molecular weight of 749.96 g/mol, XLogP of 16.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzo[c]phenanthren-5-ylphenyl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167182064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).