2-bromo-1-(2-phenylphenyl)-9H-fluoren-9-ol

C25H17BrO — CID 91239295

IUPAC2-bromo-1-(2-phenylphenyl)-9H-fluoren-9-ol
SMILESOC1c2ccccc2-c2ccc(Br)c(-c3ccccc3-c3ccccc3)c21
InChIInChI=1S/C25H17BrO/c26-22-15-14-20-18-11-5-7-13-21(18)25(27)24(20)23(22)19-12-6-4-10-17(19)16-8-2-1-3-9-16/h1-15,25,27H
InChIKeyLZJMHYJYUCIKMR-UHFFFAOYSA-N
MW413.31 g/mol
LogP6.85
Rot. Bonds2

About 2-bromo-1-(2-phenylphenyl)-9H-fluoren-9-ol

2-bromo-1-(2-phenylphenyl)-9H-fluoren-9-ol (PubChem CID 91239295) has the molecular formula C25H17BrO and a molecular weight of 413.31 g/mol. Its IUPAC name is 2-bromo-1-(2-phenylphenyl)-9H-fluoren-9-ol.

Molecular Properties

Compound Name2-bromo-1-(2-phenylphenyl)-9H-fluoren-9-ol
PubChem CID91239295
Molecular FormulaC25H17BrO
Molecular Weight413.31 g/mol
Exact Mass412.05
IUPAC Name2-bromo-1-(2-phenylphenyl)-9H-fluoren-9-ol
SMILESOC1c2ccccc2-c2ccc(Br)c(-c3ccccc3-c3ccccc3)c21
InChIInChI=1S/C25H17BrO/c26-22-15-14-20-18-11-5-7-13-21(18)25(27)24(20)23(22)19-12-6-4-10-17(19)16-8-2-1-3-9-16/h1-15,25,27H
InChIKeyLZJMHYJYUCIKMR-UHFFFAOYSA-N
XLogP6.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.31
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-phenylphenyl)-9H-fluoren-9-ol?
The IUPAC name of 2-bromo-1-(2-phenylphenyl)-9H-fluoren-9-ol (CID 91239295) is 2-bromo-1-(2-phenylphenyl)-9H-fluoren-9-ol.
What is the SMILES notation for 2-bromo-1-(2-phenylphenyl)-9H-fluoren-9-ol?
The canonical SMILES for 2-bromo-1-(2-phenylphenyl)-9H-fluoren-9-ol is OC1c2ccccc2-c2ccc(Br)c(-c3ccccc3-c3ccccc3)c21.
What is the InChIKey of 2-bromo-1-(2-phenylphenyl)-9H-fluoren-9-ol?
The InChIKey is LZJMHYJYUCIKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrO/c26-22-15-14-20-18-11-5-7-13-21(18)25(27)24(20)23(22)19-12-6-4-10-17(19)16-8-2-1-3-9-16/h1-15,25,27H.
What are the key properties of 2-bromo-1-(2-phenylphenyl)-9H-fluoren-9-ol?
2-bromo-1-(2-phenylphenyl)-9H-fluoren-9-ol has a molecular weight of 413.31 g/mol, XLogP of 6.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-phenylphenyl)-9H-fluoren-9-ol is sourced from PubChem (CID 91239295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).