N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline

C64H45N — CID 155122986

IUPACN-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)cc4-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C64H45N/c1-6-19-46(20-7-1)47-33-38-55(39-34-47)65(56-40-35-53(36-41-56)58-32-18-30-48-29-16-17-31-57(48)58)64-42-37-54(43-63(64)52-27-14-5-15-28-52)62-45-60(50-23-10-3-11-24-50)59(49-21-8-2-9-22-49)44-61(62)51-25-12-4-13-26-51/h1-45H
InChIKeyZFWPQKRKVFIJQA-UHFFFAOYSA-N
MW828.07 g/mol
LogP17.98
Rot. Bonds10

About N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline

N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline (PubChem CID 155122986) has the molecular formula C64H45N and a molecular weight of 828.07 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline
PubChem CID155122986
Molecular FormulaC64H45N
Molecular Weight828.07 g/mol
Exact Mass827.36
IUPAC NameN-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)cc4-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C64H45N/c1-6-19-46(20-7-1)47-33-38-55(39-34-47)65(56-40-35-53(36-41-56)58-32-18-30-48-29-16-17-31-57(48)58)64-42-37-54(43-63(64)52-27-14-5-15-28-52)62-45-60(50-23-10-3-11-24-50)59(49-21-8-2-9-22-49)44-61(62)51-25-12-4-13-26-51/h1-45H
InChIKeyZFWPQKRKVFIJQA-UHFFFAOYSA-N
XLogP17.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.07
LogP ≤ 517.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-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)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2,4-diphenylaniline
CID 163718769
N-(4-naphthalen-1-ylphenyl)-2,4,5-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254274
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526923
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 167265283
2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172503058
N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 164831639
N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline
CID 168846165
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168846200
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine
CID 167183092
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501407
N,N-bis(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502561

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline (CID 155122986) is N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)cc4-c4ccccc4)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline?
The InChIKey is ZFWPQKRKVFIJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N/c1-6-19-46(20-7-1)47-33-38-55(39-34-47)65(56-40-35-53(36-41-56)58-32-18-30-48-29-16-17-31-57(48)58)64-42-37-54(43-63(64)52-27-14-5-15-28-52)62-45-60(50-23-10-3-11-24-50)59(49-21-8-2-9-22-49)44-61(62)51-25-12-4-13-26-51/h1-45H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline?
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline has a molecular weight of 828.07 g/mol, XLogP of 17.98, 10 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)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline is sourced from PubChem (CID 155122986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).