(2,3-dibenzoylindolizin-1-yl)-phenylmethanone

C29H19NO3 — CID 15013820

IUPAC(2,3-dibenzoylindolizin-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c(C(=O)c2ccccc2)c2ccccn2c1C(=O)c1ccccc1
InChIInChI=1S/C29H19NO3/c31-27(20-12-4-1-5-13-20)24-23-18-10-11-19-30(23)26(29(33)22-16-8-3-9-17-22)25(24)28(32)21-14-6-2-7-15-21/h1-19H
InChIKeyCVXYZTKKTJQWQW-UHFFFAOYSA-N
MW429.48 g/mol
LogP5.63
Rot. Bonds6

About (2,3-dibenzoylindolizin-1-yl)-phenylmethanone

(2,3-dibenzoylindolizin-1-yl)-phenylmethanone (PubChem CID 15013820) has the molecular formula C29H19NO3 and a molecular weight of 429.48 g/mol. Its IUPAC name is (2,3-dibenzoylindolizin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(2,3-dibenzoylindolizin-1-yl)-phenylmethanone
PubChem CID15013820
Molecular FormulaC29H19NO3
Molecular Weight429.48 g/mol
Exact Mass429.14
IUPAC Name(2,3-dibenzoylindolizin-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c(C(=O)c2ccccc2)c2ccccn2c1C(=O)c1ccccc1
InChIInChI=1S/C29H19NO3/c31-27(20-12-4-1-5-13-20)24-23-18-10-11-19-30(23)26(29(33)22-16-8-3-9-17-22)25(24)28(32)21-14-6-2-7-15-21/h1-19H
InChIKeyCVXYZTKKTJQWQW-UHFFFAOYSA-N
XLogP5.63
TPSA55.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-dibenzoylindolizin-1-yl)-phenylmethanone?
The IUPAC name of (2,3-dibenzoylindolizin-1-yl)-phenylmethanone (CID 15013820) is (2,3-dibenzoylindolizin-1-yl)-phenylmethanone.
What is the SMILES notation for (2,3-dibenzoylindolizin-1-yl)-phenylmethanone?
The canonical SMILES for (2,3-dibenzoylindolizin-1-yl)-phenylmethanone is O=C(c1ccccc1)c1c(C(=O)c2ccccc2)c2ccccn2c1C(=O)c1ccccc1.
What is the InChIKey of (2,3-dibenzoylindolizin-1-yl)-phenylmethanone?
The InChIKey is CVXYZTKKTJQWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19NO3/c31-27(20-12-4-1-5-13-20)24-23-18-10-11-19-30(23)26(29(33)22-16-8-3-9-17-22)25(24)28(32)21-14-6-2-7-15-21/h1-19H.
What are the key properties of (2,3-dibenzoylindolizin-1-yl)-phenylmethanone?
(2,3-dibenzoylindolizin-1-yl)-phenylmethanone has a molecular weight of 429.48 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dibenzoylindolizin-1-yl)-phenylmethanone is sourced from PubChem (CID 15013820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).