3-fluoro-5-phenylmethoxy-2-(2-phenylphenyl)-1H-indole

C27H20FNO — CID 155265615

IUPAC3-fluoro-5-phenylmethoxy-2-(2-phenylphenyl)-1H-indole
SMILESFc1c(-c2ccccc2-c2ccccc2)[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C27H20FNO/c28-26-24-17-21(30-18-19-9-3-1-4-10-19)15-16-25(24)29-27(26)23-14-8-7-13-22(23)20-11-5-2-6-12-20/h1-17,29H,18H2
InChIKeyGLFDZNUMPPFXOC-UHFFFAOYSA-N
MW393.46 g/mol
LogP7.22
Rot. Bonds5

About 3-fluoro-5-phenylmethoxy-2-(2-phenylphenyl)-1H-indole

3-fluoro-5-phenylmethoxy-2-(2-phenylphenyl)-1H-indole (PubChem CID 155265615) has the molecular formula C27H20FNO and a molecular weight of 393.46 g/mol. Its IUPAC name is 3-fluoro-5-phenylmethoxy-2-(2-phenylphenyl)-1H-indole.

Molecular Properties

Compound Name3-fluoro-5-phenylmethoxy-2-(2-phenylphenyl)-1H-indole
PubChem CID155265615
Molecular FormulaC27H20FNO
Molecular Weight393.46 g/mol
Exact Mass393.15
IUPAC Name3-fluoro-5-phenylmethoxy-2-(2-phenylphenyl)-1H-indole
SMILESFc1c(-c2ccccc2-c2ccccc2)[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C27H20FNO/c28-26-24-17-21(30-18-19-9-3-1-4-10-19)15-16-25(24)29-27(26)23-14-8-7-13-22(23)20-11-5-2-6-12-20/h1-17,29H,18H2
InChIKeyGLFDZNUMPPFXOC-UHFFFAOYSA-N
XLogP7.22
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.46
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-phenylmethoxy-2-(2-phenylphenyl)-1H-indole?
The IUPAC name of 3-fluoro-5-phenylmethoxy-2-(2-phenylphenyl)-1H-indole (CID 155265615) is 3-fluoro-5-phenylmethoxy-2-(2-phenylphenyl)-1H-indole.
What is the SMILES notation for 3-fluoro-5-phenylmethoxy-2-(2-phenylphenyl)-1H-indole?
The canonical SMILES for 3-fluoro-5-phenylmethoxy-2-(2-phenylphenyl)-1H-indole is Fc1c(-c2ccccc2-c2ccccc2)[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 3-fluoro-5-phenylmethoxy-2-(2-phenylphenyl)-1H-indole?
The InChIKey is GLFDZNUMPPFXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FNO/c28-26-24-17-21(30-18-19-9-3-1-4-10-19)15-16-25(24)29-27(26)23-14-8-7-13-22(23)20-11-5-2-6-12-20/h1-17,29H,18H2.
What are the key properties of 3-fluoro-5-phenylmethoxy-2-(2-phenylphenyl)-1H-indole?
3-fluoro-5-phenylmethoxy-2-(2-phenylphenyl)-1H-indole has a molecular weight of 393.46 g/mol, XLogP of 7.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-phenylmethoxy-2-(2-phenylphenyl)-1H-indole is sourced from PubChem (CID 155265615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).