N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline

C52H37N — CID 166679444

IUPACN-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline
SMILESc1ccc(-c2cc(-c3ccccc3)c(-c3cccc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C52H37N/c1-5-17-38(18-6-1)44-36-50(40-19-7-2-8-20-40)52(51(37-44)41-21-9-3-10-22-41)43-25-15-28-47(35-43)53(45-26-11-4-12-27-45)46-33-31-42(32-34-46)49-30-16-24-39-23-13-14-29-48(39)49/h1-37H
InChIKeyVRRXJCJRTMKQLU-UHFFFAOYSA-N
MW675.88 g/mol
LogP14.64
Rot. Bonds8

About N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline

N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline (PubChem CID 166679444) has the molecular formula C52H37N and a molecular weight of 675.88 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline
PubChem CID166679444
Molecular FormulaC52H37N
Molecular Weight675.88 g/mol
Exact Mass675.29
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline
SMILESc1ccc(-c2cc(-c3ccccc3)c(-c3cccc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C52H37N/c1-5-17-38(18-6-1)44-36-50(40-19-7-2-8-20-40)52(51(37-44)41-21-9-3-10-22-41)43-25-15-28-47(35-43)53(45-26-11-4-12-27-45)46-33-31-42(32-34-46)49-30-16-24-39-23-13-14-29-48(39)49/h1-37H
InChIKeyVRRXJCJRTMKQLU-UHFFFAOYSA-N
XLogP14.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.88
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)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-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[3-(2,3,5-triphenylphenyl)phenyl]aniline
CID 175802029
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995
bis(3,5-diphenyl-N,N-bis(4-phenylphenyl)-4-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline);N,3-diphenyl-N-(4-phenylphenyl)-4-[4-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)-4-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline;3-phenyl-N,N-bis(4-phenylphenyl)-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
CID 158742458
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 58900796
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(2,4,6-triphenylphenyl)aniline
CID 126492683
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324368
3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168788673
N-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline
CID 156808683
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526926
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline (CID 166679444) is N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline is c1ccc(-c2cc(-c3ccccc3)c(-c3cccc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)c3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline?
The InChIKey is VRRXJCJRTMKQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N/c1-5-17-38(18-6-1)44-36-50(40-19-7-2-8-20-40)52(51(37-44)41-21-9-3-10-22-41)43-25-15-28-47(35-43)53(45-26-11-4-12-27-45)46-33-31-42(32-34-46)49-30-16-24-39-23-13-14-29-48(39)49/h1-37H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline?
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline has a molecular weight of 675.88 g/mol, XLogP of 14.64, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline is sourced from PubChem (CID 166679444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).