1-benzyl-3,3-diphenylindol-2-one

C27H21NO — CID 625163

IUPAC1-benzyl-3,3-diphenylindol-2-one
SMILESO=C1N(Cc2ccccc2)c2ccccc2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H21NO/c29-26-27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)24-18-10-11-19-25(24)28(26)20-21-12-4-1-5-13-21/h1-19H,20H2
InChIKeyKRXODWCXLRCEID-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.57
Rot. Bonds4

About 1-benzyl-3,3-diphenylindol-2-one

1-benzyl-3,3-diphenylindol-2-one (PubChem CID 625163) has the molecular formula C27H21NO and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-benzyl-3,3-diphenylindol-2-one.

Molecular Properties

Compound Name1-benzyl-3,3-diphenylindol-2-one
PubChem CID625163
Molecular FormulaC27H21NO
Molecular Weight375.47 g/mol
Exact Mass375.16
IUPAC Name1-benzyl-3,3-diphenylindol-2-one
SMILESO=C1N(Cc2ccccc2)c2ccccc2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H21NO/c29-26-27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)24-18-10-11-19-25(24)28(26)20-21-12-4-1-5-13-21/h1-19H,20H2
InChIKeyKRXODWCXLRCEID-UHFFFAOYSA-N
XLogP5.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,3-diphenylindol-2-one?
The IUPAC name of 1-benzyl-3,3-diphenylindol-2-one (CID 625163) is 1-benzyl-3,3-diphenylindol-2-one.
What is the SMILES notation for 1-benzyl-3,3-diphenylindol-2-one?
The canonical SMILES for 1-benzyl-3,3-diphenylindol-2-one is O=C1N(Cc2ccccc2)c2ccccc2C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-3,3-diphenylindol-2-one?
The InChIKey is KRXODWCXLRCEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO/c29-26-27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)24-18-10-11-19-25(24)28(26)20-21-12-4-1-5-13-21/h1-19H,20H2.
What are the key properties of 1-benzyl-3,3-diphenylindol-2-one?
1-benzyl-3,3-diphenylindol-2-one has a molecular weight of 375.47 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,3-diphenylindol-2-one is sourced from PubChem (CID 625163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).