2-benzoyl-1H-indole-3,4,5-tricarbaldehyde

C18H11NO4 — CID 172559621

IUPAC2-benzoyl-1H-indole-3,4,5-tricarbaldehyde
SMILESO=Cc1ccc2[nH]c(C(=O)c3ccccc3)c(C=O)c2c1C=O
InChIInChI=1S/C18H11NO4/c20-8-12-6-7-15-16(13(12)9-21)14(10-22)17(19-15)18(23)11-4-2-1-3-5-11/h1-10,19H
InChIKeyQXQVDSLOBUGTGM-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.84
Rot. Bonds5

About 2-benzoyl-1H-indole-3,4,5-tricarbaldehyde

2-benzoyl-1H-indole-3,4,5-tricarbaldehyde (PubChem CID 172559621) has the molecular formula C18H11NO4 and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-benzoyl-1H-indole-3,4,5-tricarbaldehyde.

Molecular Properties

Compound Name2-benzoyl-1H-indole-3,4,5-tricarbaldehyde
PubChem CID172559621
Molecular FormulaC18H11NO4
Molecular Weight305.29 g/mol
Exact Mass305.07
IUPAC Name2-benzoyl-1H-indole-3,4,5-tricarbaldehyde
SMILESO=Cc1ccc2[nH]c(C(=O)c3ccccc3)c(C=O)c2c1C=O
InChIInChI=1S/C18H11NO4/c20-8-12-6-7-15-16(13(12)9-21)14(10-22)17(19-15)18(23)11-4-2-1-3-5-11/h1-10,19H
InChIKeyQXQVDSLOBUGTGM-UHFFFAOYSA-N
XLogP2.84
TPSA84.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-benzoyl-4-bromo-1H-indole-3-carbaldehyde
CID 175699295
6-benzoyl-2,4-dioxo-1H-pyrimidine-5-carbaldehyde
CID 141371448
(3-ethenyl-1H-indol-2-yl)-phenylmethanone
CID 102499335
4-benzoylphthalaldehyde
CID 175060465
(2-benzoyl-4,5-dichloro-1H-indol-3-yl) acetate
CID 174434583
diphenylmethanone
CID 3102
(4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone
CID 86183747
2-amino-5-benzoylbenzaldehyde
CID 58625138
3-benzoyl-1H-indole-2-carboxylic acid
CID 22917099
ethyl 3-formyl-4-methoxy-1H-indole-2-carboxylate
CID 154727990
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-1H-indole-3,4,5-tricarbaldehyde?
The IUPAC name of 2-benzoyl-1H-indole-3,4,5-tricarbaldehyde (CID 172559621) is 2-benzoyl-1H-indole-3,4,5-tricarbaldehyde.
What is the SMILES notation for 2-benzoyl-1H-indole-3,4,5-tricarbaldehyde?
The canonical SMILES for 2-benzoyl-1H-indole-3,4,5-tricarbaldehyde is O=Cc1ccc2[nH]c(C(=O)c3ccccc3)c(C=O)c2c1C=O.
What is the InChIKey of 2-benzoyl-1H-indole-3,4,5-tricarbaldehyde?
The InChIKey is QXQVDSLOBUGTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO4/c20-8-12-6-7-15-16(13(12)9-21)14(10-22)17(19-15)18(23)11-4-2-1-3-5-11/h1-10,19H.
What are the key properties of 2-benzoyl-1H-indole-3,4,5-tricarbaldehyde?
2-benzoyl-1H-indole-3,4,5-tricarbaldehyde has a molecular weight of 305.29 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-1H-indole-3,4,5-tricarbaldehyde is sourced from PubChem (CID 172559621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).