1-[[(2R)-oxiran-2-yl]methyl]-2,3-diphenylbenzo[g]indole

C27H21NO — CID 40553294

IUPAC1-[[(2R)-oxiran-2-yl]methyl]-2,3-diphenylbenzo[g]indole
SMILESc1ccc(-c2c(-c3ccccc3)n(C[C@@H]3CO3)c3c2ccc2ccccc23)cc1
InChIInChI=1S/C27H21NO/c1-3-10-20(11-4-1)25-24-16-15-19-9-7-8-14-23(19)27(24)28(17-22-18-29-22)26(25)21-12-5-2-6-13-21/h1-16,22H,17-18H2/t22-/m1/s1
InChIKeyQBGSYRNMDJJQCY-JOCHJYFZSA-N
MW375.47 g/mol
LogP6.53
Rot. Bonds4

About 1-[[(2R)-oxiran-2-yl]methyl]-2,3-diphenylbenzo[g]indole

1-[[(2R)-oxiran-2-yl]methyl]-2,3-diphenylbenzo[g]indole (PubChem CID 40553294) has the molecular formula C27H21NO and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[[(2R)-oxiran-2-yl]methyl]-2,3-diphenylbenzo[g]indole.

Molecular Properties

Compound Name1-[[(2R)-oxiran-2-yl]methyl]-2,3-diphenylbenzo[g]indole
PubChem CID40553294
Molecular FormulaC27H21NO
Molecular Weight375.47 g/mol
Exact Mass375.16
IUPAC Name1-[[(2R)-oxiran-2-yl]methyl]-2,3-diphenylbenzo[g]indole
SMILESc1ccc(-c2c(-c3ccccc3)n(C[C@@H]3CO3)c3c2ccc2ccccc23)cc1
InChIInChI=1S/C27H21NO/c1-3-10-20(11-4-1)25-24-16-15-19-9-7-8-14-23(19)27(24)28(17-22-18-29-22)26(25)21-12-5-2-6-13-21/h1-16,22H,17-18H2/t22-/m1/s1
InChIKeyQBGSYRNMDJJQCY-JOCHJYFZSA-N
XLogP6.53
TPSA17.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-oxiran-2-yl]methyl]-2,3-diphenylbenzo[g]indole?
The IUPAC name of 1-[[(2R)-oxiran-2-yl]methyl]-2,3-diphenylbenzo[g]indole (CID 40553294) is 1-[[(2R)-oxiran-2-yl]methyl]-2,3-diphenylbenzo[g]indole.
What is the SMILES notation for 1-[[(2R)-oxiran-2-yl]methyl]-2,3-diphenylbenzo[g]indole?
The canonical SMILES for 1-[[(2R)-oxiran-2-yl]methyl]-2,3-diphenylbenzo[g]indole is c1ccc(-c2c(-c3ccccc3)n(C[C@@H]3CO3)c3c2ccc2ccccc23)cc1.
What is the InChIKey of 1-[[(2R)-oxiran-2-yl]methyl]-2,3-diphenylbenzo[g]indole?
The InChIKey is QBGSYRNMDJJQCY-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H21NO/c1-3-10-20(11-4-1)25-24-16-15-19-9-7-8-14-23(19)27(24)28(17-22-18-29-22)26(25)21-12-5-2-6-13-21/h1-16,22H,17-18H2/t22-/m1/s1.
What are the key properties of 1-[[(2R)-oxiran-2-yl]methyl]-2,3-diphenylbenzo[g]indole?
1-[[(2R)-oxiran-2-yl]methyl]-2,3-diphenylbenzo[g]indole has a molecular weight of 375.47 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-oxiran-2-yl]methyl]-2,3-diphenylbenzo[g]indole is sourced from PubChem (CID 40553294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).