9-(2-bromophenyl)-4-phenylfluoren-9-ol

C25H17BrO — CID 118049400

IUPAC9-(2-bromophenyl)-4-phenylfluoren-9-ol
SMILESOC1(c2ccccc2Br)c2ccccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C25H17BrO/c26-23-16-7-6-14-21(23)25(27)20-13-5-4-11-19(20)24-18(12-8-15-22(24)25)17-9-2-1-3-10-17/h1-16,27H
InChIKeyPSZUEEVTJGRSEK-UHFFFAOYSA-N
MW413.31 g/mol
LogP6.38
Rot. Bonds2

About 9-(2-bromophenyl)-4-phenylfluoren-9-ol

9-(2-bromophenyl)-4-phenylfluoren-9-ol (PubChem CID 118049400) has the molecular formula C25H17BrO and a molecular weight of 413.31 g/mol. Its IUPAC name is 9-(2-bromophenyl)-4-phenylfluoren-9-ol.

Molecular Properties

Compound Name9-(2-bromophenyl)-4-phenylfluoren-9-ol
PubChem CID118049400
Molecular FormulaC25H17BrO
Molecular Weight413.31 g/mol
Exact Mass412.05
IUPAC Name9-(2-bromophenyl)-4-phenylfluoren-9-ol
SMILESOC1(c2ccccc2Br)c2ccccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C25H17BrO/c26-23-16-7-6-14-21(23)25(27)20-13-5-4-11-19(20)24-18(12-8-15-22(24)25)17-9-2-1-3-10-17/h1-16,27H
InChIKeyPSZUEEVTJGRSEK-UHFFFAOYSA-N
XLogP6.38
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 ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-(2-bromophenyl)-4-phenylfluoren-9-ol?
The IUPAC name of 9-(2-bromophenyl)-4-phenylfluoren-9-ol (CID 118049400) is 9-(2-bromophenyl)-4-phenylfluoren-9-ol.
What is the SMILES notation for 9-(2-bromophenyl)-4-phenylfluoren-9-ol?
The canonical SMILES for 9-(2-bromophenyl)-4-phenylfluoren-9-ol is OC1(c2ccccc2Br)c2ccccc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of 9-(2-bromophenyl)-4-phenylfluoren-9-ol?
The InChIKey is PSZUEEVTJGRSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrO/c26-23-16-7-6-14-21(23)25(27)20-13-5-4-11-19(20)24-18(12-8-15-22(24)25)17-9-2-1-3-10-17/h1-16,27H.
What are the key properties of 9-(2-bromophenyl)-4-phenylfluoren-9-ol?
9-(2-bromophenyl)-4-phenylfluoren-9-ol has a molecular weight of 413.31 g/mol, XLogP of 6.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-bromophenyl)-4-phenylfluoren-9-ol is sourced from PubChem (CID 118049400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).