4-N-phenyl-1-N-(5-phenylcyclohexa-2,4-dien-1-yl)-4-N-(3-phenylphenyl)benzene-1,4-diamine

C36H30N2 — CID 70848535

IUPAC4-N-phenyl-1-N-(5-phenylcyclohexa-2,4-dien-1-yl)-4-N-(3-phenylphenyl)benzene-1,4-diamine
SMILESC1=CC(Nc2ccc(N(c3ccccc3)c3cccc(-c4ccccc4)c3)cc2)CC(c2ccccc2)=C1
InChIInChI=1S/C36H30N2/c1-4-12-28(13-5-1)30-16-10-18-33(26-30)37-32-22-24-35(25-23-32)38(34-19-8-3-9-20-34)36-21-11-17-31(27-36)29-14-6-2-7-15-29/h1-25,27,33,37H,26H2
InChIKeyXLFNVNYIOJNISG-UHFFFAOYSA-N
MW490.65 g/mol
LogP9.65
Rot. Bonds7

About 4-N-phenyl-1-N-(5-phenylcyclohexa-2,4-dien-1-yl)-4-N-(3-phenylphenyl)benzene-1,4-diamine

4-N-phenyl-1-N-(5-phenylcyclohexa-2,4-dien-1-yl)-4-N-(3-phenylphenyl)benzene-1,4-diamine (PubChem CID 70848535) has the molecular formula C36H30N2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 4-N-phenyl-1-N-(5-phenylcyclohexa-2,4-dien-1-yl)-4-N-(3-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-phenyl-1-N-(5-phenylcyclohexa-2,4-dien-1-yl)-4-N-(3-phenylphenyl)benzene-1,4-diamine
PubChem CID70848535
Molecular FormulaC36H30N2
Molecular Weight490.65 g/mol
Exact Mass490.24
IUPAC Name4-N-phenyl-1-N-(5-phenylcyclohexa-2,4-dien-1-yl)-4-N-(3-phenylphenyl)benzene-1,4-diamine
SMILESC1=CC(Nc2ccc(N(c3ccccc3)c3cccc(-c4ccccc4)c3)cc2)CC(c2ccccc2)=C1
InChIInChI=1S/C36H30N2/c1-4-12-28(13-5-1)30-16-10-18-33(26-30)37-32-22-24-35(25-23-32)38(34-19-8-3-9-20-34)36-21-11-17-31(27-36)29-14-6-2-7-15-29/h1-25,27,33,37H,26H2
InChIKeyXLFNVNYIOJNISG-UHFFFAOYSA-N
XLogP9.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 59.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diphenyl-3-[5-(N-[3-[3-(N-[3-[5-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino)phenyl]phenyl]anilino)cyclohexa-1,3-dien-1-yl]aniline
CID 59110985
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
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-phenyl-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 166591076
N,N-diphenyl-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076
N,N-diphenyl-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446
N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 58410428

Frequently Asked Questions

What is the IUPAC name of 4-N-phenyl-1-N-(5-phenylcyclohexa-2,4-dien-1-yl)-4-N-(3-phenylphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-phenyl-1-N-(5-phenylcyclohexa-2,4-dien-1-yl)-4-N-(3-phenylphenyl)benzene-1,4-diamine (CID 70848535) is 4-N-phenyl-1-N-(5-phenylcyclohexa-2,4-dien-1-yl)-4-N-(3-phenylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-phenyl-1-N-(5-phenylcyclohexa-2,4-dien-1-yl)-4-N-(3-phenylphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-phenyl-1-N-(5-phenylcyclohexa-2,4-dien-1-yl)-4-N-(3-phenylphenyl)benzene-1,4-diamine is C1=CC(Nc2ccc(N(c3ccccc3)c3cccc(-c4ccccc4)c3)cc2)CC(c2ccccc2)=C1.
What is the InChIKey of 4-N-phenyl-1-N-(5-phenylcyclohexa-2,4-dien-1-yl)-4-N-(3-phenylphenyl)benzene-1,4-diamine?
The InChIKey is XLFNVNYIOJNISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N2/c1-4-12-28(13-5-1)30-16-10-18-33(26-30)37-32-22-24-35(25-23-32)38(34-19-8-3-9-20-34)36-21-11-17-31(27-36)29-14-6-2-7-15-29/h1-25,27,33,37H,26H2.
What are the key properties of 4-N-phenyl-1-N-(5-phenylcyclohexa-2,4-dien-1-yl)-4-N-(3-phenylphenyl)benzene-1,4-diamine?
4-N-phenyl-1-N-(5-phenylcyclohexa-2,4-dien-1-yl)-4-N-(3-phenylphenyl)benzene-1,4-diamine has a molecular weight of 490.65 g/mol, XLogP of 9.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-phenyl-1-N-(5-phenylcyclohexa-2,4-dien-1-yl)-4-N-(3-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 70848535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).