[2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol

C23H22N2O2 — CID 71575015

IUPAC[2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol
SMILESCn1c2c(c3ccccc31)Cc1c(CO)c(CO)c(-c3ccccc3)n1C2
InChIInChI=1S/C23H22N2O2/c1-24-20-10-6-5-9-16(20)17-11-21-18(13-26)19(14-27)23(25(21)12-22(17)24)15-7-3-2-4-8-15/h2-10,26-27H,11-14H2,1H3
InChIKeyCEEOQGQIXDYQTE-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.58
Rot. Bonds3

About [2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol

[2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol (PubChem CID 71575015) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is [2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol
PubChem CID71575015
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name[2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol
SMILESCn1c2c(c3ccccc31)Cc1c(CO)c(CO)c(-c3ccccc3)n1C2
InChIInChI=1S/C23H22N2O2/c1-24-20-10-6-5-9-16(20)17-11-21-18(13-26)19(14-27)23(25(21)12-22(17)24)15-7-3-2-4-8-15/h2-10,26-27H,11-14H2,1H3
InChIKeyCEEOQGQIXDYQTE-UHFFFAOYSA-N
XLogP3.58
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze [2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol?
The IUPAC name of [2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol (CID 71575015) is [2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol is Cn1c2c(c3ccccc31)Cc1c(CO)c(CO)c(-c3ccccc3)n1C2.
What is the InChIKey of [2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol?
The InChIKey is CEEOQGQIXDYQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-24-20-10-6-5-9-16(20)17-11-21-18(13-26)19(14-27)23(25(21)12-22(17)24)15-7-3-2-4-8-15/h2-10,26-27H,11-14H2,1H3.
What are the key properties of [2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol?
[2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol has a molecular weight of 358.44 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol is sourced from PubChem (CID 71575015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).