9,9-bis(6-bromohexyl)-2,7-bis(2-phenylpropan-2-yl)fluorene

C43H52Br2 — CID 123792037

IUPAC9,9-bis(6-bromohexyl)-2,7-bis(2-phenylpropan-2-yl)fluorene
SMILESCC(C)(c1ccccc1)c1ccc2c(c1)C(CCCCCCBr)(CCCCCCBr)c1cc(C(C)(C)c3ccccc3)ccc1-2
InChIInChI=1S/C43H52Br2/c1-41(2,33-19-11-9-12-20-33)35-23-25-37-38-26-24-36(42(3,4)34-21-13-10-14-22-34)32-40(38)43(39(37)31-35,27-15-5-7-17-29-44)28-16-6-8-18-30-45/h9-14,19-26,31-32H,5-8,15-18,27-30H2,1-4H3
InChIKeyXYMSOCALOWMZOV-UHFFFAOYSA-N
MW728.70 g/mol
LogP13.30
Rot. Bonds16

About 9,9-bis(6-bromohexyl)-2,7-bis(2-phenylpropan-2-yl)fluorene

9,9-bis(6-bromohexyl)-2,7-bis(2-phenylpropan-2-yl)fluorene (PubChem CID 123792037) has the molecular formula C43H52Br2 and a molecular weight of 728.70 g/mol. Its IUPAC name is 9,9-bis(6-bromohexyl)-2,7-bis(2-phenylpropan-2-yl)fluorene.

Molecular Properties

Compound Name9,9-bis(6-bromohexyl)-2,7-bis(2-phenylpropan-2-yl)fluorene
PubChem CID123792037
Molecular FormulaC43H52Br2
Molecular Weight728.70 g/mol
Exact Mass726.24
IUPAC Name9,9-bis(6-bromohexyl)-2,7-bis(2-phenylpropan-2-yl)fluorene
SMILESCC(C)(c1ccccc1)c1ccc2c(c1)C(CCCCCCBr)(CCCCCCBr)c1cc(C(C)(C)c3ccccc3)ccc1-2
InChIInChI=1S/C43H52Br2/c1-41(2,33-19-11-9-12-20-33)35-23-25-37-38-26-24-36(42(3,4)34-21-13-10-14-22-34)32-40(38)43(39(37)31-35,27-15-5-7-17-29-44)28-16-6-8-18-30-45/h9-14,19-26,31-32H,5-8,15-18,27-30H2,1-4H3
InChIKeyXYMSOCALOWMZOV-UHFFFAOYSA-N
XLogP13.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.70
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9,9-bis(6-bromohexyl)-2,7-bis(2-phenylpropan-2-yl)fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane
CID 143104175
2,7-dibromo-9,9-bis(8-bromooctyl)fluorene
CID 58274129
2-(2-methylbutan-2-yl)-9,9-dioctylfluorene
CID 143498644
9-decan-3-yl-9-octyl-2-(2-phenylbutan-2-yl)-7-(2-phenylpropan-2-yl)fluorene
CID 123512551
2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene
CID 148971086
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
2-[6-[9-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-2,7-ditert-butylfluoren-9-yl]hexyl-(2-hydroxyethyl)amino]ethanol
CID 134387222
9,9-dihexylfluorene-2,7-dicarboxylic acid
CID 23089428
2,8-dibromo-6,6,12,12-tetrakis(3-bromopropyl)indeno[1,2-b]fluorene
CID 137443816
2-bromo-9,9-dihexylfluorene
CID 18674600
2-phenylpropan-2-ylbenzene
CID 13065
1,3-bis(9,9-dihexylfluoren-2-yl)propane-1,3-dione
CID 141179723

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(6-bromohexyl)-2,7-bis(2-phenylpropan-2-yl)fluorene?
The IUPAC name of 9,9-bis(6-bromohexyl)-2,7-bis(2-phenylpropan-2-yl)fluorene (CID 123792037) is 9,9-bis(6-bromohexyl)-2,7-bis(2-phenylpropan-2-yl)fluorene.
What is the SMILES notation for 9,9-bis(6-bromohexyl)-2,7-bis(2-phenylpropan-2-yl)fluorene?
The canonical SMILES for 9,9-bis(6-bromohexyl)-2,7-bis(2-phenylpropan-2-yl)fluorene is CC(C)(c1ccccc1)c1ccc2c(c1)C(CCCCCCBr)(CCCCCCBr)c1cc(C(C)(C)c3ccccc3)ccc1-2.
What is the InChIKey of 9,9-bis(6-bromohexyl)-2,7-bis(2-phenylpropan-2-yl)fluorene?
The InChIKey is XYMSOCALOWMZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H52Br2/c1-41(2,33-19-11-9-12-20-33)35-23-25-37-38-26-24-36(42(3,4)34-21-13-10-14-22-34)32-40(38)43(39(37)31-35,27-15-5-7-17-29-44)28-16-6-8-18-30-45/h9-14,19-26,31-32H,5-8,15-18,27-30H2,1-4H3.
What are the key properties of 9,9-bis(6-bromohexyl)-2,7-bis(2-phenylpropan-2-yl)fluorene?
9,9-bis(6-bromohexyl)-2,7-bis(2-phenylpropan-2-yl)fluorene has a molecular weight of 728.70 g/mol, XLogP of 13.30, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(6-bromohexyl)-2,7-bis(2-phenylpropan-2-yl)fluorene is sourced from PubChem (CID 123792037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).