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

C36H34N2 — CID 67121499

IUPACN-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline
SMILESC1=CCCC(N(C2=CCCC=C2)c2ccc(-c3ccc(N(C4=CCCC=C4)c4ccccc4)cc3)cc2)=C1
InChIInChI=1S/C36H34N2/c1-5-13-31(14-6-1)37(32-15-7-2-8-16-32)35-25-21-29(22-26-35)30-23-27-36(28-24-30)38(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1,3,5-7,9,11,13-17,19-28H,2,4,8,10,12,18H2
InChIKeyNIFPGXFKERPJEM-UHFFFAOYSA-N
MW494.68 g/mol
LogP10.00
Rot. Bonds7

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

N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline (PubChem CID 67121499) has the molecular formula C36H34N2 and a molecular weight of 494.68 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline
PubChem CID67121499
Molecular FormulaC36H34N2
Molecular Weight494.68 g/mol
Exact Mass494.27
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline
SMILESC1=CCCC(N(C2=CCCC=C2)c2ccc(-c3ccc(N(C4=CCCC=C4)c4ccccc4)cc3)cc2)=C1
InChIInChI=1S/C36H34N2/c1-5-13-31(14-6-1)37(32-15-7-2-8-16-32)35-25-21-29(22-26-35)30-23-27-36(28-24-30)38(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1,3,5-7,9,11,13-17,19-28H,2,4,8,10,12,18H2
InChIKeyNIFPGXFKERPJEM-UHFFFAOYSA-N
XLogP10.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.68
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]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-cyclohexa-1,5-dien-1-yl-4-[4-[N-cyclohexa-1,5-dien-1-yl-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]-N-phenylaniline
CID 139394363
N-cyclohexa-1,5-dien-1-yl-N-(cyclohexen-1-yl)-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 131995472
N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[(E)-prop-1-enyl]aniline
CID 139364225
N-cyclohexa-1,5-dien-1-yl-4-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 90939241
N-cyclohexa-1,5-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline
CID 71051952
N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane
CID 144615927
N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
CID 143438550
N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline
CID 134171912
N-cyclohexa-1,3-dien-1-yl-N-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-amine
CID 163857292
2-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-4,6-bis[4-(N-phenylanilino)phenyl]benzene-1,3,5-tricarbonitrile
CID 167289625
N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[(E)-2-[4-[4-[(1E,3Z,4Z)-6-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]-3-ethylidenehexa-1,4-dienyl]phenyl]phenyl]ethenyl]aniline
CID 146266468
N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-[4-(N-phenylanilino)phenyl]sulfonylaniline
CID 170319221

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline (CID 67121499) is N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline is C1=CCCC(N(C2=CCCC=C2)c2ccc(-c3ccc(N(C4=CCCC=C4)c4ccccc4)cc3)cc2)=C1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline?
The InChIKey is NIFPGXFKERPJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N2/c1-5-13-31(14-6-1)37(32-15-7-2-8-16-32)35-25-21-29(22-26-35)30-23-27-36(28-24-30)38(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1,3,5-7,9,11,13-17,19-28H,2,4,8,10,12,18H2.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline?
N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline has a molecular weight of 494.68 g/mol, XLogP of 10.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline is sourced from PubChem (CID 67121499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).