9-(4-bromophenyl)-9-(3-chlorophenyl)fluorene

C25H16BrCl — CID 176760002

IUPAC9-(4-bromophenyl)-9-(3-chlorophenyl)fluorene
SMILESClc1cccc(C2(c3ccc(Br)cc3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C25H16BrCl/c26-19-14-12-17(13-15-19)25(18-6-5-7-20(27)16-18)23-10-3-1-8-21(23)22-9-2-4-11-24(22)25/h1-16H
InChIKeyXJFSFTOCBXIRBR-UHFFFAOYSA-N
MW431.76 g/mol
LogP7.47
Rot. Bonds2

About 9-(4-bromophenyl)-9-(3-chlorophenyl)fluorene

9-(4-bromophenyl)-9-(3-chlorophenyl)fluorene (PubChem CID 176760002) has the molecular formula C25H16BrCl and a molecular weight of 431.76 g/mol. Its IUPAC name is 9-(4-bromophenyl)-9-(3-chlorophenyl)fluorene.

Molecular Properties

Compound Name9-(4-bromophenyl)-9-(3-chlorophenyl)fluorene
PubChem CID176760002
Molecular FormulaC25H16BrCl
Molecular Weight431.76 g/mol
Exact Mass430.01
IUPAC Name9-(4-bromophenyl)-9-(3-chlorophenyl)fluorene
SMILESClc1cccc(C2(c3ccc(Br)cc3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C25H16BrCl/c26-19-14-12-17(13-15-19)25(18-6-5-7-20(27)16-18)23-10-3-1-8-21(23)22-9-2-4-11-24(22)25/h1-16H
InChIKeyXJFSFTOCBXIRBR-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.76
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-(3-chlorophenyl)-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluorene
CID 176759908
9-(3-chlorophenyl)-4,9-diphenylfluorene
CID 176760005
9-[3-(3-chlorophenyl)phenyl]-9-naphthalen-2-ylfluorene
CID 169292933
2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]
CID 142567718
2-[3-[9-(3-chlorophenyl)fluoren-9-yl]phenyl]pyridine
CID 137452024
4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline
CID 18790937
1-(4-bromophenyl)-9,9-diphenylfluorene
CID 172845574
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
4-(2-bromo-9-phenylfluoren-9-yl)phenol
CID 146438862
3-chloro-7-(9-phenylfluoren-9-yl)dibenzothiophene
CID 177116952
9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene
CID 87087450
7-(3-bromophenyl)-7-phenylbenzo[a]phenalene
CID 134352385

Frequently Asked Questions

What is the IUPAC name of 9-(4-bromophenyl)-9-(3-chlorophenyl)fluorene?
The IUPAC name of 9-(4-bromophenyl)-9-(3-chlorophenyl)fluorene (CID 176760002) is 9-(4-bromophenyl)-9-(3-chlorophenyl)fluorene.
What is the SMILES notation for 9-(4-bromophenyl)-9-(3-chlorophenyl)fluorene?
The canonical SMILES for 9-(4-bromophenyl)-9-(3-chlorophenyl)fluorene is Clc1cccc(C2(c3ccc(Br)cc3)c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 9-(4-bromophenyl)-9-(3-chlorophenyl)fluorene?
The InChIKey is XJFSFTOCBXIRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16BrCl/c26-19-14-12-17(13-15-19)25(18-6-5-7-20(27)16-18)23-10-3-1-8-21(23)22-9-2-4-11-24(22)25/h1-16H.
What are the key properties of 9-(4-bromophenyl)-9-(3-chlorophenyl)fluorene?
9-(4-bromophenyl)-9-(3-chlorophenyl)fluorene has a molecular weight of 431.76 g/mol, XLogP of 7.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)-9-(3-chlorophenyl)fluorene is sourced from PubChem (CID 176760002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).