2-(3-benzylphenyl)indolizine

C21H17N — CID 174259995

IUPAC2-(3-benzylphenyl)indolizine
SMILESc1ccc(Cc2cccc(-c3cc4ccccn4c3)c2)cc1
InChIInChI=1S/C21H17N/c1-2-7-17(8-3-1)13-18-9-6-10-19(14-18)20-15-21-11-4-5-12-22(21)16-20/h1-12,14-16H,13H2
InChIKeyXOKYWOVNOYSKDO-UHFFFAOYSA-N
MW283.37 g/mol
LogP5.20
Rot. Bonds3

About 2-(3-benzylphenyl)indolizine

2-(3-benzylphenyl)indolizine (PubChem CID 174259995) has the molecular formula C21H17N and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(3-benzylphenyl)indolizine.

Molecular Properties

Compound Name2-(3-benzylphenyl)indolizine
PubChem CID174259995
Molecular FormulaC21H17N
Molecular Weight283.37 g/mol
Exact Mass283.14
IUPAC Name2-(3-benzylphenyl)indolizine
SMILESc1ccc(Cc2cccc(-c3cc4ccccn4c3)c2)cc1
InChIInChI=1S/C21H17N/c1-2-7-17(8-3-1)13-18-9-6-10-19(14-18)20-15-21-11-4-5-12-22(21)16-20/h1-12,14-16H,13H2
InChIKeyXOKYWOVNOYSKDO-UHFFFAOYSA-N
XLogP5.20
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.37
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylphenyl)indolizine?
The IUPAC name of 2-(3-benzylphenyl)indolizine (CID 174259995) is 2-(3-benzylphenyl)indolizine.
What is the SMILES notation for 2-(3-benzylphenyl)indolizine?
The canonical SMILES for 2-(3-benzylphenyl)indolizine is c1ccc(Cc2cccc(-c3cc4ccccn4c3)c2)cc1.
What is the InChIKey of 2-(3-benzylphenyl)indolizine?
The InChIKey is XOKYWOVNOYSKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N/c1-2-7-17(8-3-1)13-18-9-6-10-19(14-18)20-15-21-11-4-5-12-22(21)16-20/h1-12,14-16H,13H2.
What are the key properties of 2-(3-benzylphenyl)indolizine?
2-(3-benzylphenyl)indolizine has a molecular weight of 283.37 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylphenyl)indolizine is sourced from PubChem (CID 174259995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).