4,5-difluoro-2-[1-[(2-phenylphenyl)methyl]-2,3-dihydroindol-3-yl]phenol

C27H21F2NO — CID 141266699

IUPAC4,5-difluoro-2-[1-[(2-phenylphenyl)methyl]-2,3-dihydroindol-3-yl]phenol
SMILESOc1cc(F)c(F)cc1C1CN(Cc2ccccc2-c2ccccc2)c2ccccc21
InChIInChI=1S/C27H21F2NO/c28-24-14-22(27(31)15-25(24)29)23-17-30(26-13-7-6-12-21(23)26)16-19-10-4-5-11-20(19)18-8-2-1-3-9-18/h1-15,23,31H,16-17H2
InChIKeyJWKBERJTTNHZPL-UHFFFAOYSA-N
MW413.47 g/mol
LogP6.49
Rot. Bonds4

About 4,5-difluoro-2-[1-[(2-phenylphenyl)methyl]-2,3-dihydroindol-3-yl]phenol

4,5-difluoro-2-[1-[(2-phenylphenyl)methyl]-2,3-dihydroindol-3-yl]phenol (PubChem CID 141266699) has the molecular formula C27H21F2NO and a molecular weight of 413.47 g/mol. Its IUPAC name is 4,5-difluoro-2-[1-[(2-phenylphenyl)methyl]-2,3-dihydroindol-3-yl]phenol.

Molecular Properties

Compound Name4,5-difluoro-2-[1-[(2-phenylphenyl)methyl]-2,3-dihydroindol-3-yl]phenol
PubChem CID141266699
Molecular FormulaC27H21F2NO
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name4,5-difluoro-2-[1-[(2-phenylphenyl)methyl]-2,3-dihydroindol-3-yl]phenol
SMILESOc1cc(F)c(F)cc1C1CN(Cc2ccccc2-c2ccccc2)c2ccccc21
InChIInChI=1S/C27H21F2NO/c28-24-14-22(27(31)15-25(24)29)23-17-30(26-13-7-6-12-21(23)26)16-19-10-4-5-11-20(19)18-8-2-1-3-9-18/h1-15,23,31H,16-17H2
InChIKeyJWKBERJTTNHZPL-UHFFFAOYSA-N
XLogP6.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-[1-[(2-phenylphenyl)methyl]-2,3-dihydroindol-3-yl]phenol?
The IUPAC name of 4,5-difluoro-2-[1-[(2-phenylphenyl)methyl]-2,3-dihydroindol-3-yl]phenol (CID 141266699) is 4,5-difluoro-2-[1-[(2-phenylphenyl)methyl]-2,3-dihydroindol-3-yl]phenol.
What is the SMILES notation for 4,5-difluoro-2-[1-[(2-phenylphenyl)methyl]-2,3-dihydroindol-3-yl]phenol?
The canonical SMILES for 4,5-difluoro-2-[1-[(2-phenylphenyl)methyl]-2,3-dihydroindol-3-yl]phenol is Oc1cc(F)c(F)cc1C1CN(Cc2ccccc2-c2ccccc2)c2ccccc21.
What is the InChIKey of 4,5-difluoro-2-[1-[(2-phenylphenyl)methyl]-2,3-dihydroindol-3-yl]phenol?
The InChIKey is JWKBERJTTNHZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2NO/c28-24-14-22(27(31)15-25(24)29)23-17-30(26-13-7-6-12-21(23)26)16-19-10-4-5-11-20(19)18-8-2-1-3-9-18/h1-15,23,31H,16-17H2.
What are the key properties of 4,5-difluoro-2-[1-[(2-phenylphenyl)methyl]-2,3-dihydroindol-3-yl]phenol?
4,5-difluoro-2-[1-[(2-phenylphenyl)methyl]-2,3-dihydroindol-3-yl]phenol has a molecular weight of 413.47 g/mol, XLogP of 6.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-[1-[(2-phenylphenyl)methyl]-2,3-dihydroindol-3-yl]phenol is sourced from PubChem (CID 141266699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).