N-(3,4-diphenylphenyl)-4-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-(3-methylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline

C50H43N — CID 134321328

IUPACN-(3,4-diphenylphenyl)-4-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-(3-methylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline
SMILESC=C/C=C\C=C/Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)c(-c3ccccc3)c2)cc1C1=CC(C)CC=C1
InChIInChI=1S/C50H43N/c1-3-4-5-6-10-25-43-29-32-46(36-49(43)44-26-17-18-38(2)35-44)51(45-30-27-40(28-31-45)39-19-11-7-12-20-39)47-33-34-48(41-21-13-8-14-22-41)50(37-47)42-23-15-9-16-24-42/h3-17,19-24,26-38H,1,18,25H2,2H3/b5-4-,10-6-
InChIKeyXIKSSCJNUJYIIV-ARSRRCBKSA-N
MW657.90 g/mol
LogP13.98
Rot. Bonds11

About N-(3,4-diphenylphenyl)-4-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-(3-methylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline

N-(3,4-diphenylphenyl)-4-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-(3-methylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline (PubChem CID 134321328) has the molecular formula C50H43N and a molecular weight of 657.90 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-4-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-(3-methylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-4-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-(3-methylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline
PubChem CID134321328
Molecular FormulaC50H43N
Molecular Weight657.90 g/mol
Exact Mass657.34
IUPAC NameN-(3,4-diphenylphenyl)-4-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-(3-methylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline
SMILESC=C/C=C\C=C/Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)c(-c3ccccc3)c2)cc1C1=CC(C)CC=C1
InChIInChI=1S/C50H43N/c1-3-4-5-6-10-25-43-29-32-46(36-49(43)44-26-17-18-38(2)35-44)51(45-30-27-40(28-31-45)39-19-11-7-12-20-39)47-33-34-48(41-21-13-8-14-22-41)50(37-47)42-23-15-9-16-24-42/h3-17,19-24,26-38H,1,18,25H2,2H3/b5-4-,10-6-
InChIKeyXIKSSCJNUJYIIV-ARSRRCBKSA-N
XLogP13.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.90
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-(3,4-diphenylphenyl)-4-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-(3-methylcyclohexa-1,5-dien-1-yl)-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

4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline
CID 166990153
4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline
CID 155393010
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
5-[4-(N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-4-phenylanilino)phenyl]-N,N-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine
CID 121275494
N-[[3-[4-[(1E)-buta-1,3-dienyl]-N-(4-phenylphenyl)anilino]cyclohexa-2,4-dien-1-yl]methyl]-N,4-dimethylaniline
CID 143684993
2-[3-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N,N-bis(3-phenylphenyl)aniline
CID 144663158
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 145077283
N-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]phenyl]-3-phenyl-N-(4-phenylphenyl)-4-[4-(4-phenylphenyl)phenyl]aniline
CID 129130507
N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline
CID 153293994
1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 166657814
9,9-dimethyl-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 144990424

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-4-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-(3-methylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(3,4-diphenylphenyl)-4-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-(3-methylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline (CID 134321328) is N-(3,4-diphenylphenyl)-4-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-(3-methylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(3,4-diphenylphenyl)-4-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-(3-methylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(3,4-diphenylphenyl)-4-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-(3-methylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline is C=C/C=C\C=C/Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)c(-c3ccccc3)c2)cc1C1=CC(C)CC=C1.
What is the InChIKey of N-(3,4-diphenylphenyl)-4-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-(3-methylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline?
The InChIKey is XIKSSCJNUJYIIV-ARSRRCBKSA-N. The full InChI is InChI=1S/C50H43N/c1-3-4-5-6-10-25-43-29-32-46(36-49(43)44-26-17-18-38(2)35-44)51(45-30-27-40(28-31-45)39-19-11-7-12-20-39)47-33-34-48(41-21-13-8-14-22-41)50(37-47)42-23-15-9-16-24-42/h3-17,19-24,26-38H,1,18,25H2,2H3/b5-4-,10-6-.
What are the key properties of N-(3,4-diphenylphenyl)-4-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-(3-methylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline?
N-(3,4-diphenylphenyl)-4-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-(3-methylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline has a molecular weight of 657.90 g/mol, XLogP of 13.98, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-4-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-(3-methylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 134321328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).