3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline

C42H29N — CID 175774490

IUPAC3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2c(Nc3ccc(-c4cc5ccccc5c5ccccc45)cc3)cccc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C42H29N/c1-2-13-31(14-3-1)42-39(37-21-10-16-29-12-4-6-17-34(29)37)22-11-23-41(42)43-33-26-24-30(25-27-33)40-28-32-15-5-7-18-35(32)36-19-8-9-20-38(36)40/h1-28,43H
InChIKeyHJAWGZFBAZAONT-UHFFFAOYSA-N
MW547.70 g/mol
LogP11.89
Rot. Bonds5

About 3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline

3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline (PubChem CID 175774490) has the molecular formula C42H29N and a molecular weight of 547.70 g/mol. Its IUPAC name is 3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline.

Molecular Properties

Compound Name3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
PubChem CID175774490
Molecular FormulaC42H29N
Molecular Weight547.70 g/mol
Exact Mass547.23
IUPAC Name3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2c(Nc3ccc(-c4cc5ccccc5c5ccccc45)cc3)cccc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C42H29N/c1-2-13-31(14-3-1)42-39(37-21-10-16-29-12-4-6-17-34(29)37)22-11-23-41(42)43-33-26-24-30(25-27-33)40-28-32-15-5-7-18-35(32)36-19-8-9-20-38(36)40/h1-28,43H
InChIKeyHJAWGZFBAZAONT-UHFFFAOYSA-N
XLogP11.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.70
LogP ≤ 511.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-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

N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
CID 134359527
2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline
CID 168764813
2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878
9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58151254
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 58672315
4-N-[2-[4-(phenanthren-9-ylamino)phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 130250792
9-naphthalen-1-ylphenanthrene
CID 20606742
5-naphthalen-1-yl-N,2-diphenylaniline
CID 175302178
N,10-diphenylanthracen-1-amine
CID 135183397
N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine
CID 22134300
9-[4-[2,3,4,5,6-pentakis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene
CID 23530038

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline?
The IUPAC name of 3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline (CID 175774490) is 3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline.
What is the SMILES notation for 3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline?
The canonical SMILES for 3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline is c1ccc(-c2c(Nc3ccc(-c4cc5ccccc5c5ccccc45)cc3)cccc2-c2cccc3ccccc23)cc1.
What is the InChIKey of 3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline?
The InChIKey is HJAWGZFBAZAONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N/c1-2-13-31(14-3-1)42-39(37-21-10-16-29-12-4-6-17-34(29)37)22-11-23-41(42)43-33-26-24-30(25-27-33)40-28-32-15-5-7-18-35(32)36-19-8-9-20-38(36)40/h1-28,43H.
What are the key properties of 3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline?
3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline has a molecular weight of 547.70 g/mol, XLogP of 11.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline is sourced from PubChem (CID 175774490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).