(1-benzyl-2-phenylindol-3-yl)-(4-fluorophenyl)methanone

C28H20FNO — CID 138971435

IUPAC(1-benzyl-2-phenylindol-3-yl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1c(-c2ccccc2)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C28H20FNO/c29-23-17-15-22(16-18-23)28(31)26-24-13-7-8-14-25(24)30(19-20-9-3-1-4-10-20)27(26)21-11-5-2-6-12-21/h1-18H,19H2
InChIKeyMMUOJVIUFNFLJC-UHFFFAOYSA-N
MW405.47 g/mol
LogP6.73
Rot. Bonds5

About (1-benzyl-2-phenylindol-3-yl)-(4-fluorophenyl)methanone

(1-benzyl-2-phenylindol-3-yl)-(4-fluorophenyl)methanone (PubChem CID 138971435) has the molecular formula C28H20FNO and a molecular weight of 405.47 g/mol. Its IUPAC name is (1-benzyl-2-phenylindol-3-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(1-benzyl-2-phenylindol-3-yl)-(4-fluorophenyl)methanone
PubChem CID138971435
Molecular FormulaC28H20FNO
Molecular Weight405.47 g/mol
Exact Mass405.15
IUPAC Name(1-benzyl-2-phenylindol-3-yl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1c(-c2ccccc2)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C28H20FNO/c29-23-17-15-22(16-18-23)28(31)26-24-13-7-8-14-25(24)30(19-20-9-3-1-4-10-20)27(26)21-11-5-2-6-12-21/h1-18H,19H2
InChIKeyMMUOJVIUFNFLJC-UHFFFAOYSA-N
XLogP6.73
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.47
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-2-phenylindol-3-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (1-benzyl-2-phenylindol-3-yl)-(4-fluorophenyl)methanone (CID 138971435) is (1-benzyl-2-phenylindol-3-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (1-benzyl-2-phenylindol-3-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (1-benzyl-2-phenylindol-3-yl)-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1c(-c2ccccc2)n(Cc2ccccc2)c2ccccc12.
What is the InChIKey of (1-benzyl-2-phenylindol-3-yl)-(4-fluorophenyl)methanone?
The InChIKey is MMUOJVIUFNFLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FNO/c29-23-17-15-22(16-18-23)28(31)26-24-13-7-8-14-25(24)30(19-20-9-3-1-4-10-20)27(26)21-11-5-2-6-12-21/h1-18H,19H2.
What are the key properties of (1-benzyl-2-phenylindol-3-yl)-(4-fluorophenyl)methanone?
(1-benzyl-2-phenylindol-3-yl)-(4-fluorophenyl)methanone has a molecular weight of 405.47 g/mol, XLogP of 6.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-2-phenylindol-3-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 138971435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).