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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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).