[1-benzoyl-3-(4-bromobenzoyl)indolizin-7-yl]-phenylmethanone

C29H18BrNO3 — CID 3248899

IUPAC[1-benzoyl-3-(4-bromobenzoyl)indolizin-7-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccn2c(C(=O)c3ccc(Br)cc3)cc(C(=O)c3ccccc3)c2c1
InChIInChI=1S/C29H18BrNO3/c30-23-13-11-21(12-14-23)29(34)26-18-24(28(33)20-9-5-2-6-10-20)25-17-22(15-16-31(25)26)27(32)19-7-3-1-4-8-19/h1-18H
InChIKeyJCPGNKYZCWEDAM-UHFFFAOYSA-N
MW508.37 g/mol
LogP6.39
Rot. Bonds6

About [1-benzoyl-3-(4-bromobenzoyl)indolizin-7-yl]-phenylmethanone

[1-benzoyl-3-(4-bromobenzoyl)indolizin-7-yl]-phenylmethanone (PubChem CID 3248899) has the molecular formula C29H18BrNO3 and a molecular weight of 508.37 g/mol. Its IUPAC name is [1-benzoyl-3-(4-bromobenzoyl)indolizin-7-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-benzoyl-3-(4-bromobenzoyl)indolizin-7-yl]-phenylmethanone
PubChem CID3248899
Molecular FormulaC29H18BrNO3
Molecular Weight508.37 g/mol
Exact Mass507.05
IUPAC Name[1-benzoyl-3-(4-bromobenzoyl)indolizin-7-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccn2c(C(=O)c3ccc(Br)cc3)cc(C(=O)c3ccccc3)c2c1
InChIInChI=1S/C29H18BrNO3/c30-23-13-11-21(12-14-23)29(34)26-18-24(28(33)20-9-5-2-6-10-20)25-17-22(15-16-31(25)26)27(32)19-7-3-1-4-8-19/h1-18H
InChIKeyJCPGNKYZCWEDAM-UHFFFAOYSA-N
XLogP6.39
TPSA55.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.37
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-acetyl-3-benzoylindolizine-1-carboxylic acid
CID 170530657
(1-benzoyl-7-methylindolizin-3-yl)-phenylmethanone
CID 10664811
3-benzoyl-7-methylindolizine-1-carboxylic acid
CID 118724660
3-benzoylindolizine-1-carboxylic acid
CID 71356515
ethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate
CID 4052671
ethyl 3-(4-bromobenzoyl)-7-[3-(4-bromobenzoyl)-1-ethoxycarbonylindolizin-7-yl]indolizine-1-carboxylate
CID 101053717
(5-benzoyl-3-phenylpyrrolo[1,2-c]pyrimidin-7-yl)-(4-phenylphenyl)methanone
CID 4662902
3-(4-bromobenzoyl)-N-quinolin-3-ylindolizine-1-carboxamide
CID 168677971
[4-[2-(4-bromophenoxy)ethoxy]phenyl]-phenylmethanone
CID 7717760
3-[4-(diethylamino)benzoyl]indolizine-1-carboxylic acid
CID 170530658
(4-bromophenyl)-phenylmethanone;but-2-yne;methanethiol
CID 142477288
2-benzoylpyrido[1,2-b]isoindole-6-carbonitrile
CID 12951297

Frequently Asked Questions

What is the IUPAC name of [1-benzoyl-3-(4-bromobenzoyl)indolizin-7-yl]-phenylmethanone?
The IUPAC name of [1-benzoyl-3-(4-bromobenzoyl)indolizin-7-yl]-phenylmethanone (CID 3248899) is [1-benzoyl-3-(4-bromobenzoyl)indolizin-7-yl]-phenylmethanone.
What is the SMILES notation for [1-benzoyl-3-(4-bromobenzoyl)indolizin-7-yl]-phenylmethanone?
The canonical SMILES for [1-benzoyl-3-(4-bromobenzoyl)indolizin-7-yl]-phenylmethanone is O=C(c1ccccc1)c1ccn2c(C(=O)c3ccc(Br)cc3)cc(C(=O)c3ccccc3)c2c1.
What is the InChIKey of [1-benzoyl-3-(4-bromobenzoyl)indolizin-7-yl]-phenylmethanone?
The InChIKey is JCPGNKYZCWEDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18BrNO3/c30-23-13-11-21(12-14-23)29(34)26-18-24(28(33)20-9-5-2-6-10-20)25-17-22(15-16-31(25)26)27(32)19-7-3-1-4-8-19/h1-18H.
What are the key properties of [1-benzoyl-3-(4-bromobenzoyl)indolizin-7-yl]-phenylmethanone?
[1-benzoyl-3-(4-bromobenzoyl)indolizin-7-yl]-phenylmethanone has a molecular weight of 508.37 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzoyl-3-(4-bromobenzoyl)indolizin-7-yl]-phenylmethanone is sourced from PubChem (CID 3248899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).