6-(2,2-diphenylethenyl)-9-ethylcarbazole-3-carbaldehyde

C29H23NO — CID 18931899

IUPAC6-(2,2-diphenylethenyl)-9-ethylcarbazole-3-carbaldehyde
SMILESCCn1c2ccc(C=O)cc2c2cc(C=C(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C29H23NO/c1-2-30-28-15-13-21(18-26(28)27-19-22(20-31)14-16-29(27)30)17-25(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-20H,2H2,1H3
InChIKeyIEYVHJAZRNMJCA-UHFFFAOYSA-N
MW401.51 g/mol
LogP7.22
Rot. Bonds5

About 6-(2,2-diphenylethenyl)-9-ethylcarbazole-3-carbaldehyde

6-(2,2-diphenylethenyl)-9-ethylcarbazole-3-carbaldehyde (PubChem CID 18931899) has the molecular formula C29H23NO and a molecular weight of 401.51 g/mol. Its IUPAC name is 6-(2,2-diphenylethenyl)-9-ethylcarbazole-3-carbaldehyde.

Molecular Properties

Compound Name6-(2,2-diphenylethenyl)-9-ethylcarbazole-3-carbaldehyde
PubChem CID18931899
Molecular FormulaC29H23NO
Molecular Weight401.51 g/mol
Exact Mass401.18
IUPAC Name6-(2,2-diphenylethenyl)-9-ethylcarbazole-3-carbaldehyde
SMILESCCn1c2ccc(C=O)cc2c2cc(C=C(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C29H23NO/c1-2-30-28-15-13-21(18-26(28)27-19-22(20-31)14-16-29(27)30)17-25(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-20H,2H2,1H3
InChIKeyIEYVHJAZRNMJCA-UHFFFAOYSA-N
XLogP7.22
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole
CID 161385391
3-bromo-6-(1,2-diphenylethenyl)-9-ethylcarbazole
CID 141498099
9-ethyl-6-[2-[4-(N-phenylanilino)phenyl]ethenyl]carbazole-3-carbaldehyde
CID 156767860
3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid
CID 79736980
2-(2,2-diphenylethenyl)-5-hexylbenzo[b]carbazole
CID 71336559
9-ethyl-6-[2-(9-heptylcarbazol-3-yl)ethenyl]carbazole-3-carbaldehyde
CID 172869489
2-[4-[2-(9-ethylcarbazol-3-yl)-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyethyl acetate
CID 54408302
2-[(9-ethylcarbazol-3-yl)methylidene]butan-1-amine
CID 79322615
[[(1E,4E)-1,5-bis(9-ethylcarbazol-3-yl)penta-1,4-dien-3-ylidene]amino] benzoate
CID 156769873
1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide
CID 163181667
(E)-2-(benzenesulfonyl)-3-(9-ethylcarbazol-3-yl)prop-2-enenitrile
CID 2208030
6-(1,3-benzothiazol-2-yl)-9-ethylcarbazole-3-carbaldehyde
CID 141259148

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-diphenylethenyl)-9-ethylcarbazole-3-carbaldehyde?
The IUPAC name of 6-(2,2-diphenylethenyl)-9-ethylcarbazole-3-carbaldehyde (CID 18931899) is 6-(2,2-diphenylethenyl)-9-ethylcarbazole-3-carbaldehyde.
What is the SMILES notation for 6-(2,2-diphenylethenyl)-9-ethylcarbazole-3-carbaldehyde?
The canonical SMILES for 6-(2,2-diphenylethenyl)-9-ethylcarbazole-3-carbaldehyde is CCn1c2ccc(C=O)cc2c2cc(C=C(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of 6-(2,2-diphenylethenyl)-9-ethylcarbazole-3-carbaldehyde?
The InChIKey is IEYVHJAZRNMJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO/c1-2-30-28-15-13-21(18-26(28)27-19-22(20-31)14-16-29(27)30)17-25(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-20H,2H2,1H3.
What are the key properties of 6-(2,2-diphenylethenyl)-9-ethylcarbazole-3-carbaldehyde?
6-(2,2-diphenylethenyl)-9-ethylcarbazole-3-carbaldehyde has a molecular weight of 401.51 g/mol, XLogP of 7.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-diphenylethenyl)-9-ethylcarbazole-3-carbaldehyde is sourced from PubChem (CID 18931899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).