3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline

C42H29N — CID 166566627

IUPAC3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2cccc(-c3ccc4ccccc4c3)c2)c2cccc(-c3cc4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C42H29N/c1-2-17-36(18-3-1)43(37-19-10-15-32(27-37)33-25-24-30-12-4-5-13-31(30)26-33)38-20-11-16-34(28-38)42-29-35-14-6-7-21-39(35)40-22-8-9-23-41(40)42/h1-29H
InChIKeyGSCJBZLSKILROC-UHFFFAOYSA-N
MW547.70 g/mol
LogP11.95
Rot. Bonds5

About 3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline

3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline (PubChem CID 166566627) has the molecular formula C42H29N and a molecular weight of 547.70 g/mol. Its IUPAC name is 3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
PubChem CID166566627
Molecular FormulaC42H29N
Molecular Weight547.70 g/mol
Exact Mass547.23
IUPAC Name3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2cccc(-c3ccc4ccccc4c3)c2)c2cccc(-c3cc4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C42H29N/c1-2-17-36(18-3-1)43(37-19-10-15-32(27-37)33-25-24-30-12-4-5-13-31(30)26-33)38-20-11-16-34(28-38)42-29-35-14-6-7-21-39(35)40-22-8-9-23-41(40)42/h1-29H
InChIKeyGSCJBZLSKILROC-UHFFFAOYSA-N
XLogP11.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.70
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline 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

3-phenanthren-9-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 142614567
3-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline;3-phenanthren-9-yl-N-phenyl-N-(4-phenylphenyl)aniline;N-(3-phenanthren-9-ylphenyl)-3-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;3-phenanthren-9-yl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159059412
N-(3-chrysen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline
CID 170141257
3-phenanthren-9-yl-N,N-bis(3-phenanthren-9-ylphenyl)aniline
CID 20735938
3-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 142614555
N,N-dinaphthalen-2-yl-6-phenanthren-9-ylnaphthalen-2-amine;N,N-dinaphthalen-2-yl-7-phenanthren-9-ylnaphthalen-2-amine;3-fluoranthen-3-yl-N,N-diphenylaniline
CID 160707555
N-(4-benzo[c]phenanthren-6-ylphenyl)-3-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 167183283
10-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)phenanthren-3-amine
CID 174257838
3-naphthalen-1-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 166566666
N-(3-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)naphthalen-1-amine
CID 167236522
3-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 142614449
N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 167003685

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline?
The IUPAC name of 3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline (CID 166566627) is 3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline.
What is the SMILES notation for 3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline?
The canonical SMILES for 3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline is c1ccc(N(c2cccc(-c3ccc4ccccc4c3)c2)c2cccc(-c3cc4ccccc4c4ccccc34)c2)cc1.
What is the InChIKey of 3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline?
The InChIKey is GSCJBZLSKILROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N/c1-2-17-36(18-3-1)43(37-19-10-15-32(27-37)33-25-24-30-12-4-5-13-31(30)26-33)38-20-11-16-34(28-38)42-29-35-14-6-7-21-39(35)40-22-8-9-23-41(40)42/h1-29H.
What are the key properties of 3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline?
3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline has a molecular weight of 547.70 g/mol, XLogP of 11.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 166566627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).