N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline

C25H23N — CID 129042279

IUPACN-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline
SMILESCC1CC=CC=C1c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H23N/c1-19-7-5-6-10-25(19)22-13-17-24(18-14-22)26-23-15-11-21(12-16-23)20-8-3-2-4-9-20/h2-6,8-19,26H,7H2,1H3
InChIKeyZUQJKVDLTDVASV-UHFFFAOYSA-N
MW337.47 g/mol
LogP7.08
Rot. Bonds4

About N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline

N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline (PubChem CID 129042279) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline
PubChem CID129042279
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC NameN-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline
SMILESCC1CC=CC=C1c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H23N/c1-19-7-5-6-10-25(19)22-13-17-24(18-14-22)26-23-15-11-21(12-16-23)20-8-3-2-4-9-20/h2-6,8-19,26H,7H2,1H3
InChIKeyZUQJKVDLTDVASV-UHFFFAOYSA-N
XLogP7.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 85069
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N-Acetyl-4-aminobiphenyl
CID 19998
Benzenamine, 4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-
CID 82343
4,4'-Dioctyldiphenylamine
CID 7569
1,2-Dihydro-2,2,4-trimethyl-6-phenylquinoline
CID 77098
N-(3-Methylphenyl)aniline
CID 14569
N,N,N',N'-Tetramethylbenzidine
CID 9702
N-Phenyl-p-toluidine
CID 12109

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline?
The IUPAC name of N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline (CID 129042279) is N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline?
The canonical SMILES for N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline is CC1CC=CC=C1c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline?
The InChIKey is ZUQJKVDLTDVASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N/c1-19-7-5-6-10-25(19)22-13-17-24(18-14-22)26-23-15-11-21(12-16-23)20-8-3-2-4-9-20/h2-6,8-19,26H,7H2,1H3.
What are the key properties of N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline?
N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline has a molecular weight of 337.47 g/mol, XLogP of 7.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline is sourced from PubChem (CID 129042279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).