1-[3-(2-bromophenyl)phenyl]-9-phenyl-9H-fluorene

C31H21Br — CID 175530244

IUPAC1-[3-(2-bromophenyl)phenyl]-9-phenyl-9H-fluorene
SMILESBrc1ccccc1-c1cccc(-c2cccc3c2C(c2ccccc2)c2ccccc2-3)c1
InChIInChI=1S/C31H21Br/c32-29-19-7-6-14-24(29)22-12-8-13-23(20-22)25-17-9-18-28-26-15-4-5-16-27(26)30(31(25)28)21-10-2-1-3-11-21/h1-20,30H
InChIKeyYAEKGOLAPQSQIX-UHFFFAOYSA-N
MW473.41 g/mol
LogP8.94
Rot. Bonds3

About 1-[3-(2-bromophenyl)phenyl]-9-phenyl-9H-fluorene

1-[3-(2-bromophenyl)phenyl]-9-phenyl-9H-fluorene (PubChem CID 175530244) has the molecular formula C31H21Br and a molecular weight of 473.41 g/mol. Its IUPAC name is 1-[3-(2-bromophenyl)phenyl]-9-phenyl-9H-fluorene.

Molecular Properties

Compound Name1-[3-(2-bromophenyl)phenyl]-9-phenyl-9H-fluorene
PubChem CID175530244
Molecular FormulaC31H21Br
Molecular Weight473.41 g/mol
Exact Mass472.08
IUPAC Name1-[3-(2-bromophenyl)phenyl]-9-phenyl-9H-fluorene
SMILESBrc1ccccc1-c1cccc(-c2cccc3c2C(c2ccccc2)c2ccccc2-3)c1
InChIInChI=1S/C31H21Br/c32-29-19-7-6-14-24(29)22-12-8-13-23(20-22)25-17-9-18-28-26-15-4-5-16-27(26)30(31(25)28)21-10-2-1-3-11-21/h1-20,30H
InChIKeyYAEKGOLAPQSQIX-UHFFFAOYSA-N
XLogP8.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.41
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-bromophenyl)phenyl]-9-phenyl-9H-fluorene?
The IUPAC name of 1-[3-(2-bromophenyl)phenyl]-9-phenyl-9H-fluorene (CID 175530244) is 1-[3-(2-bromophenyl)phenyl]-9-phenyl-9H-fluorene.
What is the SMILES notation for 1-[3-(2-bromophenyl)phenyl]-9-phenyl-9H-fluorene?
The canonical SMILES for 1-[3-(2-bromophenyl)phenyl]-9-phenyl-9H-fluorene is Brc1ccccc1-c1cccc(-c2cccc3c2C(c2ccccc2)c2ccccc2-3)c1.
What is the InChIKey of 1-[3-(2-bromophenyl)phenyl]-9-phenyl-9H-fluorene?
The InChIKey is YAEKGOLAPQSQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21Br/c32-29-19-7-6-14-24(29)22-12-8-13-23(20-22)25-17-9-18-28-26-15-4-5-16-27(26)30(31(25)28)21-10-2-1-3-11-21/h1-20,30H.
What are the key properties of 1-[3-(2-bromophenyl)phenyl]-9-phenyl-9H-fluorene?
1-[3-(2-bromophenyl)phenyl]-9-phenyl-9H-fluorene has a molecular weight of 473.41 g/mol, XLogP of 8.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-bromophenyl)phenyl]-9-phenyl-9H-fluorene is sourced from PubChem (CID 175530244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).