9-ethyl-6-[2-[4-(N-phenylanilino)phenyl]ethenyl]carbazole-3-carbaldehyde

C35H28N2O — CID 156767860

IUPAC9-ethyl-6-[2-[4-(N-phenylanilino)phenyl]ethenyl]carbazole-3-carbaldehyde
SMILESCCn1c2ccc(C=O)cc2c2cc(C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21
InChIInChI=1S/C35H28N2O/c1-2-36-34-21-17-27(23-32(34)33-24-28(25-38)18-22-35(33)36)14-13-26-15-19-31(20-16-26)37(29-9-5-3-6-10-29)30-11-7-4-8-12-30/h3-25H,2H2,1H3
InChIKeyLBFWVXLSOSZRAB-UHFFFAOYSA-N
MW492.62 g/mol
LogP9.27
Rot. Bonds7

About 9-ethyl-6-[2-[4-(N-phenylanilino)phenyl]ethenyl]carbazole-3-carbaldehyde

9-ethyl-6-[2-[4-(N-phenylanilino)phenyl]ethenyl]carbazole-3-carbaldehyde (PubChem CID 156767860) has the molecular formula C35H28N2O and a molecular weight of 492.62 g/mol. Its IUPAC name is 9-ethyl-6-[2-[4-(N-phenylanilino)phenyl]ethenyl]carbazole-3-carbaldehyde.

Molecular Properties

Compound Name9-ethyl-6-[2-[4-(N-phenylanilino)phenyl]ethenyl]carbazole-3-carbaldehyde
PubChem CID156767860
Molecular FormulaC35H28N2O
Molecular Weight492.62 g/mol
Exact Mass492.22
IUPAC Name9-ethyl-6-[2-[4-(N-phenylanilino)phenyl]ethenyl]carbazole-3-carbaldehyde
SMILESCCn1c2ccc(C=O)cc2c2cc(C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21
InChIInChI=1S/C35H28N2O/c1-2-36-34-21-17-27(23-32(34)33-24-28(25-38)18-22-35(33)36)14-13-26-15-19-31(20-16-26)37(29-9-5-3-6-10-29)30-11-7-4-8-12-30/h3-25H,2H2,1H3
InChIKeyLBFWVXLSOSZRAB-UHFFFAOYSA-N
XLogP9.27
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-ethyl-6-[2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]ethenyl]carbazole-3-carbaldehyde
CID 156767867
9-ethyl-6-[2-(9-heptylcarbazol-3-yl)ethenyl]carbazole-3-carbaldehyde
CID 172869489
9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazole-3-carbaldehyde
CID 156767863
6-(2,2-diphenylethenyl)-9-ethylcarbazole-3-carbaldehyde
CID 18931899
9-ethyl-3-[2-[4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]carbazole
CID 71403116
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
9-ethyl-7-(2-methylprop-1-enyl)-N,N-diphenylcarbazol-2-amine
CID 168797319
N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 14366512
9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide
CID 171700207
2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]terephthalaldehyde
CID 44557741

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-[2-[4-(N-phenylanilino)phenyl]ethenyl]carbazole-3-carbaldehyde?
The IUPAC name of 9-ethyl-6-[2-[4-(N-phenylanilino)phenyl]ethenyl]carbazole-3-carbaldehyde (CID 156767860) is 9-ethyl-6-[2-[4-(N-phenylanilino)phenyl]ethenyl]carbazole-3-carbaldehyde.
What is the SMILES notation for 9-ethyl-6-[2-[4-(N-phenylanilino)phenyl]ethenyl]carbazole-3-carbaldehyde?
The canonical SMILES for 9-ethyl-6-[2-[4-(N-phenylanilino)phenyl]ethenyl]carbazole-3-carbaldehyde is CCn1c2ccc(C=O)cc2c2cc(C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21.
What is the InChIKey of 9-ethyl-6-[2-[4-(N-phenylanilino)phenyl]ethenyl]carbazole-3-carbaldehyde?
The InChIKey is LBFWVXLSOSZRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N2O/c1-2-36-34-21-17-27(23-32(34)33-24-28(25-38)18-22-35(33)36)14-13-26-15-19-31(20-16-26)37(29-9-5-3-6-10-29)30-11-7-4-8-12-30/h3-25H,2H2,1H3.
What are the key properties of 9-ethyl-6-[2-[4-(N-phenylanilino)phenyl]ethenyl]carbazole-3-carbaldehyde?
9-ethyl-6-[2-[4-(N-phenylanilino)phenyl]ethenyl]carbazole-3-carbaldehyde has a molecular weight of 492.62 g/mol, XLogP of 9.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-[2-[4-(N-phenylanilino)phenyl]ethenyl]carbazole-3-carbaldehyde is sourced from PubChem (CID 156767860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).