1,1'-biphenyl;2,3-bis(2-bromoethyl)fluoren-9-one

C29H24Br2O — CID 174724059

IUPAC1,1'-biphenyl;2,3-bis(2-bromoethyl)fluoren-9-one
SMILESO=C1c2ccccc2-c2cc(CCBr)c(CCBr)cc21.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H14Br2O.C12H10/c18-7-5-11-9-15-13-3-1-2-4-14(13)17(20)16(15)10-12(11)6-8-19;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-4,9-10H,5-8H2;1-10H
InChIKeyIQOZOCMUGIJQHX-UHFFFAOYSA-N
MW548.32 g/mol
LogP8.13
Rot. Bonds5

About 1,1'-biphenyl;2,3-bis(2-bromoethyl)fluoren-9-one

1,1'-biphenyl;2,3-bis(2-bromoethyl)fluoren-9-one (PubChem CID 174724059) has the molecular formula C29H24Br2O and a molecular weight of 548.32 g/mol. Its IUPAC name is 1,1'-biphenyl;2,3-bis(2-bromoethyl)fluoren-9-one.

Molecular Properties

Compound Name1,1'-biphenyl;2,3-bis(2-bromoethyl)fluoren-9-one
PubChem CID174724059
Molecular FormulaC29H24Br2O
Molecular Weight548.32 g/mol
Exact Mass546.02
IUPAC Name1,1'-biphenyl;2,3-bis(2-bromoethyl)fluoren-9-one
SMILESO=C1c2ccccc2-c2cc(CCBr)c(CCBr)cc21.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H14Br2O.C12H10/c18-7-5-11-9-15-13-3-1-2-4-14(13)17(20)16(15)10-12(11)6-8-19;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-4,9-10H,5-8H2;1-10H
InChIKeyIQOZOCMUGIJQHX-UHFFFAOYSA-N
XLogP8.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.32
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(2-bromoethyl)fluoren-9-one
CID 174724060
2,3-diphenylfluoren-9-one
CID 102493574
2-(3-bromopropoxy)-3-prop-2-enylfluoren-9-one
CID 86190145
2-(9-oxofluoren-2-yl)fluoren-9-one
CID 86119721
2-phenylindeno[1,2-g]quinolin-10-one
CID 154625605
2,3-bis(3-methylphenyl)fluoren-9-one
CID 102493573
[9,10-dioxo-3-[(trimethylazaniumyl)methyl]anthracen-2-yl]methyl-trimethylazanium dibromide
CID 155317178
ethane;bis(fluoren-9-one);methanol
CID 162250310
CID 158261979
CID 158261979
sodium;fluoren-9-one;hydride
CID 174594472
lithium;anthracene-9,10-dione;hydride
CID 174683199
CID 67824005
CID 67824005

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;2,3-bis(2-bromoethyl)fluoren-9-one?
The IUPAC name of 1,1'-biphenyl;2,3-bis(2-bromoethyl)fluoren-9-one (CID 174724059) is 1,1'-biphenyl;2,3-bis(2-bromoethyl)fluoren-9-one.
What is the SMILES notation for 1,1'-biphenyl;2,3-bis(2-bromoethyl)fluoren-9-one?
The canonical SMILES for 1,1'-biphenyl;2,3-bis(2-bromoethyl)fluoren-9-one is O=C1c2ccccc2-c2cc(CCBr)c(CCBr)cc21.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;2,3-bis(2-bromoethyl)fluoren-9-one?
The InChIKey is IQOZOCMUGIJQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Br2O.C12H10/c18-7-5-11-9-15-13-3-1-2-4-14(13)17(20)16(15)10-12(11)6-8-19;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-4,9-10H,5-8H2;1-10H.
What are the key properties of 1,1'-biphenyl;2,3-bis(2-bromoethyl)fluoren-9-one?
1,1'-biphenyl;2,3-bis(2-bromoethyl)fluoren-9-one has a molecular weight of 548.32 g/mol, XLogP of 8.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;2,3-bis(2-bromoethyl)fluoren-9-one is sourced from PubChem (CID 174724059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).