8-methyl-2-(4-phenylphenyl)indolizine-3-carbaldehyde

C22H17NO — CID 3837530

IUPAC8-methyl-2-(4-phenylphenyl)indolizine-3-carbaldehyde
SMILESCc1cccn2c(C=O)c(-c3ccc(-c4ccccc4)cc3)cc12
InChIInChI=1S/C22H17NO/c1-16-6-5-13-23-21(16)14-20(22(23)15-24)19-11-9-18(10-12-19)17-7-3-2-4-8-17/h2-15H,1H3
InChIKeyJNCUNQRCCSKAIA-UHFFFAOYSA-N
MW311.38 g/mol
LogP5.39
Rot. Bonds3

About 8-methyl-2-(4-phenylphenyl)indolizine-3-carbaldehyde

8-methyl-2-(4-phenylphenyl)indolizine-3-carbaldehyde (PubChem CID 3837530) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 8-methyl-2-(4-phenylphenyl)indolizine-3-carbaldehyde.

Molecular Properties

Compound Name8-methyl-2-(4-phenylphenyl)indolizine-3-carbaldehyde
PubChem CID3837530
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name8-methyl-2-(4-phenylphenyl)indolizine-3-carbaldehyde
SMILESCc1cccn2c(C=O)c(-c3ccc(-c4ccccc4)cc3)cc12
InChIInChI=1S/C22H17NO/c1-16-6-5-13-23-21(16)14-20(22(23)15-24)19-11-9-18(10-12-19)17-7-3-2-4-8-17/h2-15H,1H3
InChIKeyJNCUNQRCCSKAIA-UHFFFAOYSA-N
XLogP5.39
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(4-phenylphenyl)indolizine-3-carbaldehyde?
The IUPAC name of 8-methyl-2-(4-phenylphenyl)indolizine-3-carbaldehyde (CID 3837530) is 8-methyl-2-(4-phenylphenyl)indolizine-3-carbaldehyde.
What is the SMILES notation for 8-methyl-2-(4-phenylphenyl)indolizine-3-carbaldehyde?
The canonical SMILES for 8-methyl-2-(4-phenylphenyl)indolizine-3-carbaldehyde is Cc1cccn2c(C=O)c(-c3ccc(-c4ccccc4)cc3)cc12.
What is the InChIKey of 8-methyl-2-(4-phenylphenyl)indolizine-3-carbaldehyde?
The InChIKey is JNCUNQRCCSKAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-16-6-5-13-23-21(16)14-20(22(23)15-24)19-11-9-18(10-12-19)17-7-3-2-4-8-17/h2-15H,1H3.
What are the key properties of 8-methyl-2-(4-phenylphenyl)indolizine-3-carbaldehyde?
8-methyl-2-(4-phenylphenyl)indolizine-3-carbaldehyde has a molecular weight of 311.38 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(4-phenylphenyl)indolizine-3-carbaldehyde is sourced from PubChem (CID 3837530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).