[2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone

C28H19F2NO — CID 138971434

IUPAC[2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1c(-c2ccc(F)cc2)n(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C28H19F2NO/c29-22-14-10-19(11-15-22)18-31-25-9-5-4-8-24(25)26(28(32)21-6-2-1-3-7-21)27(31)20-12-16-23(30)17-13-20/h1-17H,18H2
InChIKeyMLIPTZMWPXRXIG-UHFFFAOYSA-N
MW423.46 g/mol
LogP6.87
Rot. Bonds5

About [2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone

[2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone (PubChem CID 138971434) has the molecular formula C28H19F2NO and a molecular weight of 423.46 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
PubChem CID138971434
Molecular FormulaC28H19F2NO
Molecular Weight423.46 g/mol
Exact Mass423.14
IUPAC Name[2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1c(-c2ccc(F)cc2)n(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C28H19F2NO/c29-22-14-10-19(11-15-22)18-31-25-9-5-4-8-24(25)26(28(32)21-6-2-1-3-7-21)27(31)20-12-16-23(30)17-13-20/h1-17H,18H2
InChIKeyMLIPTZMWPXRXIG-UHFFFAOYSA-N
XLogP6.87
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.46
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-benzyl-2-(4-fluorophenyl)indol-3-yl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-one
CID 164889710
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177
2-[1-[(4-tert-butylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]indol-3-yl]-2-oxoacetic acid
CID 150721720
9-[(4-fluorophenyl)methyl]carbazole-4-carboxylic acid
CID 174930142
1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole
CID 86235085
1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione
CID 52936428
9-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylic acid
CID 90878202
4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoic acid
CID 69057912
2-[1-benzyl-2-(4-fluorophenyl)-5-methoxyindol-3-yl]acetic acid
CID 67649862
(2-chlorophenyl)-(1-ethyl-2-phenylindol-3-yl)methanone
CID 154139542
1-benzyl-N-[(3,5-difluorophenyl)methyl]-5-hydroxy-2-phenylindole-3-carboxamide
CID 24805100
9-[(4-fluorophenyl)methyl]-N-[9-[(4-fluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
CID 59760482

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone?
The IUPAC name of [2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone (CID 138971434) is [2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone.
What is the SMILES notation for [2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone?
The canonical SMILES for [2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone is O=C(c1ccccc1)c1c(-c2ccc(F)cc2)n(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of [2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone?
The InChIKey is MLIPTZMWPXRXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F2NO/c29-22-14-10-19(11-15-22)18-31-25-9-5-4-8-24(25)26(28(32)21-6-2-1-3-7-21)27(31)20-12-16-23(30)17-13-20/h1-17H,18H2.
What are the key properties of [2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone?
[2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone has a molecular weight of 423.46 g/mol, XLogP of 6.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone is sourced from PubChem (CID 138971434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).