N-(4-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline

C52H35N — CID 170140885

IUPACN-(4-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3)c(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C52H35N/c1-3-14-36(15-4-1)40-29-33-52(51(34-40)45-25-13-18-37-16-7-9-21-43(37)45)53(41-19-5-2-6-20-41)42-30-26-39(27-31-42)49-35-50-44-22-10-8-17-38(44)28-32-48(50)46-23-11-12-24-47(46)49/h1-35H
InChIKeyYDBISMULLABLBG-UHFFFAOYSA-N
MW673.86 g/mol
LogP14.77
Rot. Bonds6

About N-(4-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline

N-(4-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline (PubChem CID 170140885) has the molecular formula C52H35N and a molecular weight of 673.86 g/mol. Its IUPAC name is N-(4-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline.

Molecular Properties

Compound NameN-(4-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline
PubChem CID170140885
Molecular FormulaC52H35N
Molecular Weight673.86 g/mol
Exact Mass673.28
IUPAC NameN-(4-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3)c(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C52H35N/c1-3-14-36(15-4-1)40-29-33-52(51(34-40)45-25-13-18-37-16-7-9-21-43(37)45)53(41-19-5-2-6-20-41)42-30-26-39(27-31-42)49-35-50-44-22-10-8-17-38(44)28-32-48(50)46-23-11-12-24-47(46)49/h1-35H
InChIKeyYDBISMULLABLBG-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.86
LogP ≤ 514.77
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-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,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-chrysen-3-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline
CID 170141031
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170141496
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
CID 170141173
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2,4-diphenylaniline
CID 163718769
N-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine
CID 118369404
6-chrysen-1-yl-N-[4-[3-[4-[1-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]chrysen-6-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 170141997
4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170140942
N-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 170136262
4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170142135
4-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 170141665
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201
4-phenanthren-2-yl-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
CID 170054686

Frequently Asked Questions

What is the IUPAC name of N-(4-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline?
The IUPAC name of N-(4-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline (CID 170140885) is N-(4-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline.
What is the SMILES notation for N-(4-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline?
The canonical SMILES for N-(4-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3)c(-c3cccc4ccccc34)c2)cc1.
What is the InChIKey of N-(4-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline?
The InChIKey is YDBISMULLABLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N/c1-3-14-36(15-4-1)40-29-33-52(51(34-40)45-25-13-18-37-16-7-9-21-43(37)45)53(41-19-5-2-6-20-41)42-30-26-39(27-31-42)49-35-50-44-22-10-8-17-38(44)28-32-48(50)46-23-11-12-24-47(46)49/h1-35H.
What are the key properties of N-(4-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline?
N-(4-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline has a molecular weight of 673.86 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline is sourced from PubChem (CID 170140885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).