1-bromo-9,9-bis(3-methylbutyl)fluorene

C23H29Br — CID 69230197

IUPAC1-bromo-9,9-bis(3-methylbutyl)fluorene
SMILESCC(C)CCC1(CCC(C)C)c2ccccc2-c2cccc(Br)c21
InChIInChI=1S/C23H29Br/c1-16(2)12-14-23(15-13-17(3)4)20-10-6-5-8-18(20)19-9-7-11-21(24)22(19)23/h5-11,16-17H,12-15H2,1-4H3
InChIKeyRWAYJTLZQLBUEC-UHFFFAOYSA-N
MW385.39 g/mol
LogP7.59
Rot. Bonds6

About 1-bromo-9,9-bis(3-methylbutyl)fluorene

1-bromo-9,9-bis(3-methylbutyl)fluorene (PubChem CID 69230197) has the molecular formula C23H29Br and a molecular weight of 385.39 g/mol. Its IUPAC name is 1-bromo-9,9-bis(3-methylbutyl)fluorene.

Molecular Properties

Compound Name1-bromo-9,9-bis(3-methylbutyl)fluorene
PubChem CID69230197
Molecular FormulaC23H29Br
Molecular Weight385.39 g/mol
Exact Mass384.15
IUPAC Name1-bromo-9,9-bis(3-methylbutyl)fluorene
SMILESCC(C)CCC1(CCC(C)C)c2ccccc2-c2cccc(Br)c21
InChIInChI=1S/C23H29Br/c1-16(2)12-14-23(15-13-17(3)4)20-10-6-5-8-18(20)19-9-7-11-21(24)22(19)23/h5-11,16-17H,12-15H2,1-4H3
InChIKeyRWAYJTLZQLBUEC-UHFFFAOYSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-9,9-bis(3-methylbutyl)fluorene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-9,9-bis(3-methylbutyl)fluorene?
The IUPAC name of 1-bromo-9,9-bis(3-methylbutyl)fluorene (CID 69230197) is 1-bromo-9,9-bis(3-methylbutyl)fluorene.
What is the SMILES notation for 1-bromo-9,9-bis(3-methylbutyl)fluorene?
The canonical SMILES for 1-bromo-9,9-bis(3-methylbutyl)fluorene is CC(C)CCC1(CCC(C)C)c2ccccc2-c2cccc(Br)c21.
What is the InChIKey of 1-bromo-9,9-bis(3-methylbutyl)fluorene?
The InChIKey is RWAYJTLZQLBUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Br/c1-16(2)12-14-23(15-13-17(3)4)20-10-6-5-8-18(20)19-9-7-11-21(24)22(19)23/h5-11,16-17H,12-15H2,1-4H3.
What are the key properties of 1-bromo-9,9-bis(3-methylbutyl)fluorene?
1-bromo-9,9-bis(3-methylbutyl)fluorene has a molecular weight of 385.39 g/mol, XLogP of 7.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-9,9-bis(3-methylbutyl)fluorene is sourced from PubChem (CID 69230197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).