N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline

C54H39N — CID 146664996

IUPACN-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C54H39N/c1-6-17-40(18-7-1)46-27-16-28-51(36-46)55(52-37-48(42-21-10-3-11-22-42)35-49(38-52)43-23-12-4-13-24-43)50-32-29-45(30-33-50)53-34-31-47(41-19-8-2-9-20-41)39-54(53)44-25-14-5-15-26-44/h1-39H
InChIKeyHDKSDHGWKYBPCJ-UHFFFAOYSA-N
MW701.91 g/mol
LogP15.16
Rot. Bonds9

About N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline

N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline (PubChem CID 146664996) has the molecular formula C54H39N and a molecular weight of 701.91 g/mol. Its IUPAC name is N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
PubChem CID146664996
Molecular FormulaC54H39N
Molecular Weight701.91 g/mol
Exact Mass701.31
IUPAC NameN-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C54H39N/c1-6-17-40(18-7-1)46-27-16-28-51(36-46)55(52-37-48(42-21-10-3-11-22-42)35-49(38-52)43-23-12-4-13-24-43)50-32-29-45(30-33-50)53-34-31-47(41-19-8-2-9-20-41)39-54(53)44-25-14-5-15-26-44/h1-39H
InChIKeyHDKSDHGWKYBPCJ-UHFFFAOYSA-N
XLogP15.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.91
LogP ≤ 515.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)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-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665045
3,5-bis(2,5-diphenylphenyl)-N,N-diphenylaniline
CID 156578624
4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943793
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 161496261
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(2,4,6-triphenylphenyl)aniline
CID 126492683
N,N-diphenylaniline;N,4-diphenyl-N-(4-phenylphenyl)aniline;ethane;3-phenyl-N,N-bis(3-phenylphenyl)aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;N,N,4-triphenylaniline;N,3,5-triphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159185873
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501
N-[4-[4-(N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline;3,5-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 161155086
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline?
The IUPAC name of N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline (CID 146664996) is N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline?
The canonical SMILES for N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline is c1ccc(-c2cccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline?
The InChIKey is HDKSDHGWKYBPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N/c1-6-17-40(18-7-1)46-27-16-28-51(36-46)55(52-37-48(42-21-10-3-11-22-42)35-49(38-52)43-23-12-4-13-24-43)50-32-29-45(30-33-50)53-34-31-47(41-19-8-2-9-20-41)39-54(53)44-25-14-5-15-26-44/h1-39H.
What are the key properties of N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline?
N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline has a molecular weight of 701.91 g/mol, XLogP of 15.16, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 146664996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).