9-[(2R,3R)-2,3-dibromo-4-fluoren-9-ylidenecyclobutylidene]fluorene

C30H18Br2 — CID 132603146

IUPAC9-[(2R,3R)-2,3-dibromo-4-fluoren-9-ylidenecyclobutylidene]fluorene
SMILESBr[C@@H]1C(=C2c3ccccc3-c3ccccc32)C(=C2c3ccccc3-c3ccccc32)[C@H]1Br
InChIInChI=1S/C30H18Br2/c31-29-27(25-21-13-5-1-9-17(21)18-10-2-6-14-22(18)25)28(30(29)32)26-23-15-7-3-11-19(23)20-12-4-8-16-24(20)26/h1-16,29-30H/t29-,30-/m1/s1
InChIKeyKKPFNZTXHVXQPT-LOYHVIPDSA-N
MW538.28 g/mol
LogP8.49
Rot. Bonds

About 9-[(2R,3R)-2,3-dibromo-4-fluoren-9-ylidenecyclobutylidene]fluorene

9-[(2R,3R)-2,3-dibromo-4-fluoren-9-ylidenecyclobutylidene]fluorene (PubChem CID 132603146) has the molecular formula C30H18Br2 and a molecular weight of 538.28 g/mol. Its IUPAC name is 9-[(2R,3R)-2,3-dibromo-4-fluoren-9-ylidenecyclobutylidene]fluorene.

Molecular Properties

Compound Name9-[(2R,3R)-2,3-dibromo-4-fluoren-9-ylidenecyclobutylidene]fluorene
PubChem CID132603146
Molecular FormulaC30H18Br2
Molecular Weight538.28 g/mol
Exact Mass535.98
IUPAC Name9-[(2R,3R)-2,3-dibromo-4-fluoren-9-ylidenecyclobutylidene]fluorene
SMILESBr[C@@H]1C(=C2c3ccccc3-c3ccccc32)C(=C2c3ccccc3-c3ccccc32)[C@H]1Br
InChIInChI=1S/C30H18Br2/c31-29-27(25-21-13-5-1-9-17(21)18-10-2-6-14-22(18)25)28(30(29)32)26-23-15-7-3-11-19(23)20-12-4-8-16-24(20)26/h1-16,29-30H/t29-,30-/m1/s1
InChIKeyKKPFNZTXHVXQPT-LOYHVIPDSA-N
XLogP8.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.28
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-[(2R,3R)-2,3-dibromo-4-fluoren-9-ylidenecyclobutylidene]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

9-[(3S,4S)-2-fluoren-9-ylidene-3,4-diphenylcyclobutylidene]fluorene
CID 91157268
9-[(3S,4R)-2-fluoren-9-ylidene-3,4-diphenylcyclobutylidene]fluorene
CID 16723223
[(1S,4S)-2,3-di(fluoren-9-ylidene)-4-trimethylsilylcyclobutyl]-trimethylsilane
CID 16723468
8,9,16,17-tetrabromotetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene
CID 11135759
biphenylene;hydron
CID 173077542
2-[2-bromo-3-(1,3-dioxoinden-2-ylidene)inden-1-ylidene]indene-1,3-dione
CID 10814614
3-bromo-2,3-dihydroinden-1-one
CID 11745912
(4E)-2-bromo-4-(2-bromoindeno[2,1-b]thiophen-4-ylidene)indeno[2,1-b]thiophene
CID 118208418
(1R,4S)-1,4-dibromo-1,2,3,4-tetrahydronaphthalene
CID 45356914
5-phenyl-10-[4-(5-phenylindeno[1,2-b]inden-10-yl)phenyl]indeno[2,1-a]indene
CID 177426395
11,12-dibromo-11,12-dihydroindeno[2,1-a]fluorene
CID 132512258
10-fluoren-9-ylidene-9,9-dimethylanthracene
CID 10832973

Frequently Asked Questions

What is the IUPAC name of 9-[(2R,3R)-2,3-dibromo-4-fluoren-9-ylidenecyclobutylidene]fluorene?
The IUPAC name of 9-[(2R,3R)-2,3-dibromo-4-fluoren-9-ylidenecyclobutylidene]fluorene (CID 132603146) is 9-[(2R,3R)-2,3-dibromo-4-fluoren-9-ylidenecyclobutylidene]fluorene.
What is the SMILES notation for 9-[(2R,3R)-2,3-dibromo-4-fluoren-9-ylidenecyclobutylidene]fluorene?
The canonical SMILES for 9-[(2R,3R)-2,3-dibromo-4-fluoren-9-ylidenecyclobutylidene]fluorene is Br[C@@H]1C(=C2c3ccccc3-c3ccccc32)C(=C2c3ccccc3-c3ccccc32)[C@H]1Br.
What is the InChIKey of 9-[(2R,3R)-2,3-dibromo-4-fluoren-9-ylidenecyclobutylidene]fluorene?
The InChIKey is KKPFNZTXHVXQPT-LOYHVIPDSA-N. The full InChI is InChI=1S/C30H18Br2/c31-29-27(25-21-13-5-1-9-17(21)18-10-2-6-14-22(18)25)28(30(29)32)26-23-15-7-3-11-19(23)20-12-4-8-16-24(20)26/h1-16,29-30H/t29-,30-/m1/s1.
What are the key properties of 9-[(2R,3R)-2,3-dibromo-4-fluoren-9-ylidenecyclobutylidene]fluorene?
9-[(2R,3R)-2,3-dibromo-4-fluoren-9-ylidenecyclobutylidene]fluorene has a molecular weight of 538.28 g/mol, XLogP of 8.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,3R)-2,3-dibromo-4-fluoren-9-ylidenecyclobutylidene]fluorene is sourced from PubChem (CID 132603146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).