N-[2-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline

C54H41N — CID 167297637

IUPACN-[2-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
SMILESC1=CCC(c2ccc(-c3ccccc3)c(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c2)C=C1
InChIInChI=1S/C54H41N/c1-6-18-40(19-7-1)42-30-33-47(34-31-42)55(48-35-37-49(43-22-10-3-11-23-43)52(39-48)45-26-14-5-15-27-45)54-29-17-16-28-51(54)53-38-46(41-20-8-2-9-21-41)32-36-50(53)44-24-12-4-13-25-44/h1-20,22-39,41H,21H2
InChIKeyULVTXSIHJGJOHT-UHFFFAOYSA-N
MW703.93 g/mol
LogP15.09
Rot. Bonds9

About N-[2-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline

N-[2-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline (PubChem CID 167297637) has the molecular formula C54H41N and a molecular weight of 703.93 g/mol. Its IUPAC name is N-[2-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[2-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
PubChem CID167297637
Molecular FormulaC54H41N
Molecular Weight703.93 g/mol
Exact Mass703.32
IUPAC NameN-[2-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
SMILESC1=CCC(c2ccc(-c3ccccc3)c(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c2)C=C1
InChIInChI=1S/C54H41N/c1-6-18-40(19-7-1)42-30-33-47(34-31-42)55(48-35-37-49(43-22-10-3-11-23-43)52(39-48)45-26-14-5-15-27-45)54-29-17-16-28-51(54)53-38-46(41-20-8-2-9-21-41)32-36-50(53)44-24-12-4-13-25-44/h1-20,22-39,41H,21H2
InChIKeyULVTXSIHJGJOHT-UHFFFAOYSA-N
XLogP15.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.93
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[2-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-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-cyclohexa-2,4-dien-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 90087282
7-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-7-N,17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 164779502
N-[9-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 154957217
3,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254211
1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine
CID 155010301
N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 164831679
N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502867
2-(3-phenylnaphthalen-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 139352585
N-(4-bromophenyl)-N-[4-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)phenyl]-4-phenylaniline
CID 170214346
6-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-11-N-naphthalen-1-yl-6-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,11-diamine
CID 168855510
N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172501038
N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172502615

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[2-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline (CID 167297637) is N-[2-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[2-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[2-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline is C1=CCC(c2ccc(-c3ccccc3)c(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c2)C=C1.
What is the InChIKey of N-[2-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline?
The InChIKey is ULVTXSIHJGJOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N/c1-6-18-40(19-7-1)42-30-33-47(34-31-42)55(48-35-37-49(43-22-10-3-11-23-43)52(39-48)45-26-14-5-15-27-45)54-29-17-16-28-51(54)53-38-46(41-20-8-2-9-21-41)32-36-50(53)44-24-12-4-13-25-44/h1-20,22-39,41H,21H2.
What are the key properties of N-[2-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline?
N-[2-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline has a molecular weight of 703.93 g/mol, XLogP of 15.09, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167297637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).