N-(3-naphthalen-1-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-2,4-diphenylaniline

C54H37N — CID 166566557

IUPACN-(3-naphthalen-1-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-2,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C54H37N/c1-3-16-38(17-4-1)41-32-33-54(53(36-41)40-18-5-2-6-19-40)55(45-25-13-23-42(34-45)48-31-15-22-39-20-7-9-27-47(39)48)46-26-14-24-43(35-46)52-37-44-21-8-10-28-49(44)50-29-11-12-30-51(50)52/h1-37H
InChIKeySKINKWNCFWNZEO-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.28
Rot. Bonds7

About N-(3-naphthalen-1-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-2,4-diphenylaniline

N-(3-naphthalen-1-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-2,4-diphenylaniline (PubChem CID 166566557) has the molecular formula C54H37N and a molecular weight of 699.90 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-2,4-diphenylaniline.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-2,4-diphenylaniline
PubChem CID166566557
Molecular FormulaC54H37N
Molecular Weight699.90 g/mol
Exact Mass699.29
IUPAC NameN-(3-naphthalen-1-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-2,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C54H37N/c1-3-16-38(17-4-1)41-32-33-54(53(36-41)40-18-5-2-6-19-40)55(45-25-13-23-42(34-45)48-31-15-22-39-20-7-9-27-47(39)48)46-26-14-24-43(35-46)52-37-44-21-8-10-28-49(44)50-29-11-12-30-51(50)52/h1-37H
InChIKeySKINKWNCFWNZEO-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 515.28
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-naphthalen-1-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-2,4-diphenylaniline 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-(4-phenanthren-9-ylphenyl)-2,4-diphenylaniline
CID 163718769
N-(2,4-diphenylphenyl)-4-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-2-amine
CID 176588575
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201
N-(4-naphthalen-1-ylphenyl)-3-phenanthren-9-yl-N-(3-phenanthren-9-ylphenyl)aniline
CID 162481190
3-naphthalen-1-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 166566666
4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170140942
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine
CID 167183092
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501661
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline
CID 155122986
5-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 167236266
N-[4-[7-[3-(4-benzo[c]phenanthren-6-yl-N-(2,4-diphenylphenyl)anilino)phenyl]benzo[c]phenanthren-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 167183724

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-2,4-diphenylaniline?
The IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-2,4-diphenylaniline (CID 166566557) is N-(3-naphthalen-1-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-2,4-diphenylaniline.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-2,4-diphenylaniline?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-2,4-diphenylaniline is c1ccc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-2,4-diphenylaniline?
The InChIKey is SKINKWNCFWNZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N/c1-3-16-38(17-4-1)41-32-33-54(53(36-41)40-18-5-2-6-19-40)55(45-25-13-23-42(34-45)48-31-15-22-39-20-7-9-27-47(39)48)46-26-14-24-43(35-46)52-37-44-21-8-10-28-49(44)50-29-11-12-30-51(50)52/h1-37H.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-2,4-diphenylaniline?
N-(3-naphthalen-1-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-2,4-diphenylaniline has a molecular weight of 699.90 g/mol, XLogP of 15.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-2,4-diphenylaniline is sourced from PubChem (CID 166566557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).