3-(5-methylcyclohexa-1,3-dien-1-yl)-5-phenyl-N-(4-phenylphenyl)aniline

C31H27N — CID 154955387

IUPAC3-(5-methylcyclohexa-1,3-dien-1-yl)-5-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1C=CC=C(c2cc(Nc3ccc(-c4ccccc4)cc3)cc(-c3ccccc3)c2)C1
InChIInChI=1S/C31H27N/c1-23-9-8-14-27(19-23)29-20-28(25-12-6-3-7-13-25)21-31(22-29)32-30-17-15-26(16-18-30)24-10-4-2-5-11-24/h2-18,20-23,32H,19H2,1H3
InChIKeyHEWRZOIURXMBEQ-UHFFFAOYSA-N
MW413.56 g/mol
LogP8.74
Rot. Bonds5

About 3-(5-methylcyclohexa-1,3-dien-1-yl)-5-phenyl-N-(4-phenylphenyl)aniline

3-(5-methylcyclohexa-1,3-dien-1-yl)-5-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 154955387) has the molecular formula C31H27N and a molecular weight of 413.56 g/mol. Its IUPAC name is 3-(5-methylcyclohexa-1,3-dien-1-yl)-5-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-(5-methylcyclohexa-1,3-dien-1-yl)-5-phenyl-N-(4-phenylphenyl)aniline
PubChem CID154955387
Molecular FormulaC31H27N
Molecular Weight413.56 g/mol
Exact Mass413.21
IUPAC Name3-(5-methylcyclohexa-1,3-dien-1-yl)-5-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1C=CC=C(c2cc(Nc3ccc(-c4ccccc4)cc3)cc(-c3ccccc3)c2)C1
InChIInChI=1S/C31H27N/c1-23-9-8-14-27(19-23)29-20-28(25-12-6-3-7-13-25)21-31(22-29)32-30-17-15-26(16-18-30)24-10-4-2-5-11-24/h2-18,20-23,32H,19H2,1H3
InChIKeyHEWRZOIURXMBEQ-UHFFFAOYSA-N
XLogP8.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 58.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-[12-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]-14-azapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-10-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121355867
2-[3-(4-bromophenyl)phenyl]-4-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine
CID 163916839
4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166859893
[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]methanamine
CID 146244829
N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline
CID 129042279
N-[3-[4-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(4-phenylphenyl)dibenzothiophen-4-amine
CID 118449184
4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 118907736
N-phenyl-3-(4-phenylphenyl)aniline
CID 58389913
4-(5-methylcyclohexa-1,3-dien-1-yl)-6-pyridin-2-ylpyridin-2-amine
CID 166668066
4-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-2-[2-(2-triphenylen-2-ylphenyl)phenyl]pyrimidine
CID 167149257
1-[2-hydroxy-5-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]ethanone
CID 163497893
N-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 146294835

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylcyclohexa-1,3-dien-1-yl)-5-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-(5-methylcyclohexa-1,3-dien-1-yl)-5-phenyl-N-(4-phenylphenyl)aniline (CID 154955387) is 3-(5-methylcyclohexa-1,3-dien-1-yl)-5-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-(5-methylcyclohexa-1,3-dien-1-yl)-5-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-(5-methylcyclohexa-1,3-dien-1-yl)-5-phenyl-N-(4-phenylphenyl)aniline is CC1C=CC=C(c2cc(Nc3ccc(-c4ccccc4)cc3)cc(-c3ccccc3)c2)C1.
What is the InChIKey of 3-(5-methylcyclohexa-1,3-dien-1-yl)-5-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is HEWRZOIURXMBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N/c1-23-9-8-14-27(19-23)29-20-28(25-12-6-3-7-13-25)21-31(22-29)32-30-17-15-26(16-18-30)24-10-4-2-5-11-24/h2-18,20-23,32H,19H2,1H3.
What are the key properties of 3-(5-methylcyclohexa-1,3-dien-1-yl)-5-phenyl-N-(4-phenylphenyl)aniline?
3-(5-methylcyclohexa-1,3-dien-1-yl)-5-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 413.56 g/mol, XLogP of 8.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylcyclohexa-1,3-dien-1-yl)-5-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 154955387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).