[2,3-bis(4-nitrobenzoyl)indolizin-1-yl]-(4-nitrophenyl)methanone

C29H16N4O9 — CID 10030781

IUPAC[2,3-bis(4-nitrobenzoyl)indolizin-1-yl]-(4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)c1c(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C29H16N4O9/c34-27(17-4-10-20(11-5-17)31(37)38)24-23-3-1-2-16-30(23)26(29(36)19-8-14-22(15-9-19)33(41)42)25(24)28(35)18-6-12-21(13-7-18)32(39)40/h1-16H
InChIKeyYPQOPHPVGIKBRU-UHFFFAOYSA-N
MW564.47 g/mol
LogP5.36
Rot. Bonds9

About [2,3-bis(4-nitrobenzoyl)indolizin-1-yl]-(4-nitrophenyl)methanone

[2,3-bis(4-nitrobenzoyl)indolizin-1-yl]-(4-nitrophenyl)methanone (PubChem CID 10030781) has the molecular formula C29H16N4O9 and a molecular weight of 564.47 g/mol. Its IUPAC name is [2,3-bis(4-nitrobenzoyl)indolizin-1-yl]-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name[2,3-bis(4-nitrobenzoyl)indolizin-1-yl]-(4-nitrophenyl)methanone
PubChem CID10030781
Molecular FormulaC29H16N4O9
Molecular Weight564.47 g/mol
Exact Mass564.09
IUPAC Name[2,3-bis(4-nitrobenzoyl)indolizin-1-yl]-(4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)c1c(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C29H16N4O9/c34-27(17-4-10-20(11-5-17)31(37)38)24-23-3-1-2-16-30(23)26(29(36)19-8-14-22(15-9-19)33(41)42)25(24)28(35)18-6-12-21(13-7-18)32(39)40/h1-16H
InChIKeyYPQOPHPVGIKBRU-UHFFFAOYSA-N
XLogP5.36
TPSA185.04 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.47
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(4-nitrobenzoyl)-N-phenylindolizine-1-carboxamide
CID 18576373
ethyl 3-benzoyl-2-(4-nitrophenyl)indolizine-1-carboxylate
CID 72701002
2-amino-N-(5-chloro-2-methylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide
CID 18576502
N-[[2-methyl-3-(pyridine-4-carbonyl)indolizin-1-yl]methylideneamino]-4-nitrobenzamide
CID 2311239
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
4-(4-nitrobenzoyl)benzoate
CID 6943506
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 172745216
2-amino-3-(4-nitrobenzoyl)indolizine-1-carbonitrile;2-(2-chloropyridin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone;bromide
CID 45148704
methanediimine;bis((4-nitrophenyl)-phenylmethanone)
CID 174915149
carbonic acid;nitrobenzene
CID 68662598
carbonic acid;nitrobenzene
CID 158100196

Frequently Asked Questions

What is the IUPAC name of [2,3-bis(4-nitrobenzoyl)indolizin-1-yl]-(4-nitrophenyl)methanone?
The IUPAC name of [2,3-bis(4-nitrobenzoyl)indolizin-1-yl]-(4-nitrophenyl)methanone (CID 10030781) is [2,3-bis(4-nitrobenzoyl)indolizin-1-yl]-(4-nitrophenyl)methanone.
What is the SMILES notation for [2,3-bis(4-nitrobenzoyl)indolizin-1-yl]-(4-nitrophenyl)methanone?
The canonical SMILES for [2,3-bis(4-nitrobenzoyl)indolizin-1-yl]-(4-nitrophenyl)methanone is O=C(c1ccc([N+](=O)[O-])cc1)c1c(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [2,3-bis(4-nitrobenzoyl)indolizin-1-yl]-(4-nitrophenyl)methanone?
The InChIKey is YPQOPHPVGIKBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H16N4O9/c34-27(17-4-10-20(11-5-17)31(37)38)24-23-3-1-2-16-30(23)26(29(36)19-8-14-22(15-9-19)33(41)42)25(24)28(35)18-6-12-21(13-7-18)32(39)40/h1-16H.
What are the key properties of [2,3-bis(4-nitrobenzoyl)indolizin-1-yl]-(4-nitrophenyl)methanone?
[2,3-bis(4-nitrobenzoyl)indolizin-1-yl]-(4-nitrophenyl)methanone has a molecular weight of 564.47 g/mol, XLogP of 5.36, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(4-nitrobenzoyl)indolizin-1-yl]-(4-nitrophenyl)methanone is sourced from PubChem (CID 10030781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).