N-[4-[5-(4-methylcyclohexa-1,5-dien-1-yl)thiophen-2-yl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]-4-phenylaniline

C34H31NS — CID 144874400

IUPACN-[4-[5-(4-methylcyclohexa-1,5-dien-1-yl)thiophen-2-yl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]-4-phenylaniline
SMILESC=C/C=C(\C)N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(C3=CCC(C)C=C3)s2)cc1
InChIInChI=1S/C34H31NS/c1-4-8-26(3)35(31-19-15-28(16-20-31)27-9-6-5-7-10-27)32-21-17-30(18-22-32)34-24-23-33(36-34)29-13-11-25(2)12-14-29/h4-11,13-25H,1,12H2,2-3H3/b26-8+
InChIKeyLLFAMWHHABWZQW-MWRNPHMMSA-N
MW485.70 g/mol
LogP10.29
Rot. Bonds7

About N-[4-[5-(4-methylcyclohexa-1,5-dien-1-yl)thiophen-2-yl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]-4-phenylaniline

N-[4-[5-(4-methylcyclohexa-1,5-dien-1-yl)thiophen-2-yl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]-4-phenylaniline (PubChem CID 144874400) has the molecular formula C34H31NS and a molecular weight of 485.70 g/mol. Its IUPAC name is N-[4-[5-(4-methylcyclohexa-1,5-dien-1-yl)thiophen-2-yl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-[5-(4-methylcyclohexa-1,5-dien-1-yl)thiophen-2-yl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]-4-phenylaniline
PubChem CID144874400
Molecular FormulaC34H31NS
Molecular Weight485.70 g/mol
Exact Mass485.22
IUPAC NameN-[4-[5-(4-methylcyclohexa-1,5-dien-1-yl)thiophen-2-yl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]-4-phenylaniline
SMILESC=C/C=C(\C)N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(C3=CCC(C)C=C3)s2)cc1
InChIInChI=1S/C34H31NS/c1-4-8-26(3)35(31-19-15-28(16-20-31)27-9-6-5-7-10-27)32-21-17-30(18-22-32)34-24-23-33(36-34)29-13-11-25(2)12-14-29/h4-11,13-25H,1,12H2,2-3H3/b26-8+
InChIKeyLLFAMWHHABWZQW-MWRNPHMMSA-N
XLogP10.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.70
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[5-(4-methylcyclohexa-1,5-dien-1-yl)thiophen-2-yl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]-4-phenylaniline 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

2-(4-methylcyclohexa-1,5-dien-1-yl)-5-[4-[5-(4-methylphenyl)thiophen-2-yl]phenyl]thiophene
CID 142352355
4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(4-methylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 144854487
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,4-diphenylaniline
CID 88961504
2-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 134219894
5-[4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)phenyl]thiophene-2-carbaldehyde;methanethiol
CID 145446536
4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 139514263
1-N,1-N-diphenyl-4-N-[(2E,4E)-5-(N-[4-(N-phenylanilino)phenyl]anilino)hepta-2,4,6-trien-2-yl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 130205076
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline
CID 89229629
N-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-methylphenyl)-9,9-diphenyl-7-(2-phenylphenyl)fluoren-2-amine
CID 144950157
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[4-[4-(5-phenylthiophen-2-yl)-N-[4-(5-phenylthiophen-2-yl)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 159275595
N-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline
CID 59650430
4-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(8-thia-21-azapentacyclo[17.7.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-10-yl)phenyl]aniline
CID 145314192

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-methylcyclohexa-1,5-dien-1-yl)thiophen-2-yl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]-4-phenylaniline?
The IUPAC name of N-[4-[5-(4-methylcyclohexa-1,5-dien-1-yl)thiophen-2-yl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]-4-phenylaniline (CID 144874400) is N-[4-[5-(4-methylcyclohexa-1,5-dien-1-yl)thiophen-2-yl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]-4-phenylaniline.
What is the SMILES notation for N-[4-[5-(4-methylcyclohexa-1,5-dien-1-yl)thiophen-2-yl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]-4-phenylaniline?
The canonical SMILES for N-[4-[5-(4-methylcyclohexa-1,5-dien-1-yl)thiophen-2-yl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]-4-phenylaniline is C=C/C=C(\C)N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(C3=CCC(C)C=C3)s2)cc1.
What is the InChIKey of N-[4-[5-(4-methylcyclohexa-1,5-dien-1-yl)thiophen-2-yl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]-4-phenylaniline?
The InChIKey is LLFAMWHHABWZQW-MWRNPHMMSA-N. The full InChI is InChI=1S/C34H31NS/c1-4-8-26(3)35(31-19-15-28(16-20-31)27-9-6-5-7-10-27)32-21-17-30(18-22-32)34-24-23-33(36-34)29-13-11-25(2)12-14-29/h4-11,13-25H,1,12H2,2-3H3/b26-8+.
What are the key properties of N-[4-[5-(4-methylcyclohexa-1,5-dien-1-yl)thiophen-2-yl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]-4-phenylaniline?
N-[4-[5-(4-methylcyclohexa-1,5-dien-1-yl)thiophen-2-yl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]-4-phenylaniline has a molecular weight of 485.70 g/mol, XLogP of 10.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-methylcyclohexa-1,5-dien-1-yl)thiophen-2-yl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]-4-phenylaniline is sourced from PubChem (CID 144874400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).