4-(N-phenylanilino)cyclohexa-2,4-diene-1-carbaldehyde

C19H17NO — CID 146953475

IUPAC4-(N-phenylanilino)cyclohexa-2,4-diene-1-carbaldehyde
SMILESO=CC1C=CC(N(c2ccccc2)c2ccccc2)=CC1
InChIInChI=1S/C19H17NO/c21-15-16-11-13-19(14-12-16)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-11,13-16H,12H2
InChIKeyAJEIPRZEKPBQAE-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.48
Rot. Bonds4

About 4-(N-phenylanilino)cyclohexa-2,4-diene-1-carbaldehyde

4-(N-phenylanilino)cyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 146953475) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(N-phenylanilino)cyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name4-(N-phenylanilino)cyclohexa-2,4-diene-1-carbaldehyde
PubChem CID146953475
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name4-(N-phenylanilino)cyclohexa-2,4-diene-1-carbaldehyde
SMILESO=CC1C=CC(N(c2ccccc2)c2ccccc2)=CC1
InChIInChI=1S/C19H17NO/c21-15-16-11-13-19(14-12-16)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-11,13-16H,12H2
InChIKeyAJEIPRZEKPBQAE-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(N-(4-formylcyclohexa-1,5-dien-1-yl)-3,4-dimethylanilino)cyclohexa-2,4-diene-1-carbaldehyde
CID 90738218
1-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-diphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]benzene-1,4-diamine
CID 71017943
9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]ethenyl]fluoren-2-amine
CID 129095683
4-[(E)-2-[4-[(E)-2-fluoroethenyl]phenyl]ethenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline
CID 143254565
1-[4-(N-[4-(2-methylbutan-2-yl)phenyl]anilino)cyclohexa-2,4-dien-1-yl]ethanone
CID 70860368
1-N-cyclohexa-2,4-dien-1-yl-4-N,4-N-diphenyl-1-N-[4-[4-(N-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 143746563
N-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-[4-[4-(N-triphenylen-2-ylanilino)phenyl]phenyl]phenyl]triphenylen-2-amine
CID 134321142
4-ethenyl-N,N-diphenylcyclohepta-1,4,6-trien-1-amine
CID 163491819
4-bromo-N-(4-bromocyclohexa-1,5-dien-1-yl)-N-(4-bromophenyl)aniline
CID 149370996
N-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline
CID 118554549
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
4-methyl-N,N-diphenyl-5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-amine
CID 167246239

Frequently Asked Questions

What is the IUPAC name of 4-(N-phenylanilino)cyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of 4-(N-phenylanilino)cyclohexa-2,4-diene-1-carbaldehyde (CID 146953475) is 4-(N-phenylanilino)cyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 4-(N-phenylanilino)cyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for 4-(N-phenylanilino)cyclohexa-2,4-diene-1-carbaldehyde is O=CC1C=CC(N(c2ccccc2)c2ccccc2)=CC1.
What is the InChIKey of 4-(N-phenylanilino)cyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is AJEIPRZEKPBQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c21-15-16-11-13-19(14-12-16)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-11,13-16H,12H2.
What are the key properties of 4-(N-phenylanilino)cyclohexa-2,4-diene-1-carbaldehyde?
4-(N-phenylanilino)cyclohexa-2,4-diene-1-carbaldehyde has a molecular weight of 275.35 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-phenylanilino)cyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 146953475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).