3-[2,2-difluoro-1-(4-phenylphenyl)ethenyl]-1H-indole

C22H15F2N — CID 172643194

IUPAC3-[2,2-difluoro-1-(4-phenylphenyl)ethenyl]-1H-indole
SMILESFC(F)=C(c1ccc(-c2ccccc2)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H15F2N/c23-22(24)21(19-14-25-20-9-5-4-8-18(19)20)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14,25H
InChIKeyQVCSNXAAOWORBZ-UHFFFAOYSA-N
MW331.37 g/mol
LogP6.49
Rot. Bonds3

About 3-[2,2-difluoro-1-(4-phenylphenyl)ethenyl]-1H-indole

3-[2,2-difluoro-1-(4-phenylphenyl)ethenyl]-1H-indole (PubChem CID 172643194) has the molecular formula C22H15F2N and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-[2,2-difluoro-1-(4-phenylphenyl)ethenyl]-1H-indole.

Molecular Properties

Compound Name3-[2,2-difluoro-1-(4-phenylphenyl)ethenyl]-1H-indole
PubChem CID172643194
Molecular FormulaC22H15F2N
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name3-[2,2-difluoro-1-(4-phenylphenyl)ethenyl]-1H-indole
SMILESFC(F)=C(c1ccc(-c2ccccc2)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H15F2N/c23-22(24)21(19-14-25-20-9-5-4-8-18(19)20)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14,25H
InChIKeyQVCSNXAAOWORBZ-UHFFFAOYSA-N
XLogP6.49
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.37
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-1H-indole
CID 172643302
3-[1-(3,5-difluorophenyl)-2,2-difluoroethenyl]-1H-indole
CID 172643197
N-(4-phenylphenyl)-1H-indole-3-carboxamide
CID 17447542
2-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile
CID 154708719
2-[(4-chlorophenyl)-(1H-indol-3-yl)methylidene]propanedinitrile
CID 154708723
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
1H-indol-3-yl-(6-phenyl-2-pyridinyl)methanone
CID 139561362
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
1H-indol-3-yl-(4-iodophenyl)methanone
CID 43339241
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
4-(1H-indole-3-carbonyloxy)benzoic acid
CID 71564483
methane;3-phenyl-1H-indole
CID 167711687

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoro-1-(4-phenylphenyl)ethenyl]-1H-indole?
The IUPAC name of 3-[2,2-difluoro-1-(4-phenylphenyl)ethenyl]-1H-indole (CID 172643194) is 3-[2,2-difluoro-1-(4-phenylphenyl)ethenyl]-1H-indole.
What is the SMILES notation for 3-[2,2-difluoro-1-(4-phenylphenyl)ethenyl]-1H-indole?
The canonical SMILES for 3-[2,2-difluoro-1-(4-phenylphenyl)ethenyl]-1H-indole is FC(F)=C(c1ccc(-c2ccccc2)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[2,2-difluoro-1-(4-phenylphenyl)ethenyl]-1H-indole?
The InChIKey is QVCSNXAAOWORBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N/c23-22(24)21(19-14-25-20-9-5-4-8-18(19)20)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14,25H.
What are the key properties of 3-[2,2-difluoro-1-(4-phenylphenyl)ethenyl]-1H-indole?
3-[2,2-difluoro-1-(4-phenylphenyl)ethenyl]-1H-indole has a molecular weight of 331.37 g/mol, XLogP of 6.49, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoro-1-(4-phenylphenyl)ethenyl]-1H-indole is sourced from PubChem (CID 172643194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).