2,7-dibromo-9,9-bis(2,3-dihydro-1H-inden-2-yl)fluorene

C31H24Br2 — CID 86001339

IUPAC2,7-dibromo-9,9-bis(2,3-dihydro-1H-inden-2-yl)fluorene
SMILESBrc1ccc2c(c1)C(C1Cc3ccccc3C1)(C1Cc3ccccc3C1)c1cc(Br)ccc1-2
InChIInChI=1S/C31H24Br2/c32-25-9-11-27-28-12-10-26(33)18-30(28)31(29(27)17-25,23-13-19-5-1-2-6-20(19)14-23)24-15-21-7-3-4-8-22(21)16-24/h1-12,17-18,23-24H,13-16H2
InChIKeySJOIQMMCTAYDHT-UHFFFAOYSA-N
MW556.34 g/mol
LogP8.31
Rot. Bonds2

About 2,7-dibromo-9,9-bis(2,3-dihydro-1H-inden-2-yl)fluorene

2,7-dibromo-9,9-bis(2,3-dihydro-1H-inden-2-yl)fluorene (PubChem CID 86001339) has the molecular formula C31H24Br2 and a molecular weight of 556.34 g/mol. Its IUPAC name is 2,7-dibromo-9,9-bis(2,3-dihydro-1H-inden-2-yl)fluorene.

Molecular Properties

Compound Name2,7-dibromo-9,9-bis(2,3-dihydro-1H-inden-2-yl)fluorene
PubChem CID86001339
Molecular FormulaC31H24Br2
Molecular Weight556.34 g/mol
Exact Mass554.02
IUPAC Name2,7-dibromo-9,9-bis(2,3-dihydro-1H-inden-2-yl)fluorene
SMILESBrc1ccc2c(c1)C(C1Cc3ccccc3C1)(C1Cc3ccccc3C1)c1cc(Br)ccc1-2
InChIInChI=1S/C31H24Br2/c32-25-9-11-27-28-12-10-26(33)18-30(28)31(29(27)17-25,23-13-19-5-1-2-6-20(19)14-23)24-15-21-7-3-4-8-22(21)16-24/h1-12,17-18,23-24H,13-16H2
InChIKeySJOIQMMCTAYDHT-UHFFFAOYSA-N
XLogP8.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.34
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,7-dibromo-9,9-bis(2,3-dihydro-1H-inden-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

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,9-bis(2,3-dihydro-1H-inden-2-yl)fluorene?
The IUPAC name of 2,7-dibromo-9,9-bis(2,3-dihydro-1H-inden-2-yl)fluorene (CID 86001339) is 2,7-dibromo-9,9-bis(2,3-dihydro-1H-inden-2-yl)fluorene.
What is the SMILES notation for 2,7-dibromo-9,9-bis(2,3-dihydro-1H-inden-2-yl)fluorene?
The canonical SMILES for 2,7-dibromo-9,9-bis(2,3-dihydro-1H-inden-2-yl)fluorene is Brc1ccc2c(c1)C(C1Cc3ccccc3C1)(C1Cc3ccccc3C1)c1cc(Br)ccc1-2.
What is the InChIKey of 2,7-dibromo-9,9-bis(2,3-dihydro-1H-inden-2-yl)fluorene?
The InChIKey is SJOIQMMCTAYDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24Br2/c32-25-9-11-27-28-12-10-26(33)18-30(28)31(29(27)17-25,23-13-19-5-1-2-6-20(19)14-23)24-15-21-7-3-4-8-22(21)16-24/h1-12,17-18,23-24H,13-16H2.
What are the key properties of 2,7-dibromo-9,9-bis(2,3-dihydro-1H-inden-2-yl)fluorene?
2,7-dibromo-9,9-bis(2,3-dihydro-1H-inden-2-yl)fluorene has a molecular weight of 556.34 g/mol, XLogP of 8.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9,9-bis(2,3-dihydro-1H-inden-2-yl)fluorene is sourced from PubChem (CID 86001339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).