11,12-dibromo-11,12-dihydroindeno[2,1-a]fluorene

C20H12Br2 — CID 132512258

IUPAC11,12-dibromo-11,12-dihydroindeno[2,1-a]fluorene
SMILESBrC1c2ccccc2-c2ccc3c(c21)C(Br)c1ccccc1-3
InChIInChI=1S/C20H12Br2/c21-19-15-7-3-1-5-11(15)13-9-10-14-12-6-2-4-8-16(12)20(22)18(14)17(13)19/h1-10,19-20H
InChIKeyAPXKVVVPFHHXPQ-UHFFFAOYSA-N
MW412.12 g/mol
LogP6.62
Rot. Bonds

About 11,12-dibromo-11,12-dihydroindeno[2,1-a]fluorene

11,12-dibromo-11,12-dihydroindeno[2,1-a]fluorene (PubChem CID 132512258) has the molecular formula C20H12Br2 and a molecular weight of 412.12 g/mol. Its IUPAC name is 11,12-dibromo-11,12-dihydroindeno[2,1-a]fluorene.

Molecular Properties

Compound Name11,12-dibromo-11,12-dihydroindeno[2,1-a]fluorene
PubChem CID132512258
Molecular FormulaC20H12Br2
Molecular Weight412.12 g/mol
Exact Mass409.93
IUPAC Name11,12-dibromo-11,12-dihydroindeno[2,1-a]fluorene
SMILESBrC1c2ccccc2-c2ccc3c(c21)C(Br)c1ccccc1-3
InChIInChI=1S/C20H12Br2/c21-19-15-7-3-1-5-11(15)13-9-10-14-12-6-2-4-8-16(12)20(22)18(14)17(13)19/h1-10,19-20H
InChIKeyAPXKVVVPFHHXPQ-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.12
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1-(9-bromo-9H-fluoren-2-yl)ethanone
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9-fluoro-9H-fluorene
CID 12685099
(14S,15S)-14,15-dibromo-3-methyltetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 95240162
[1-bromo-3-(oxomethylidene)-1H-inden-2-ylidene]methanone
CID 141144433
1-(2-bromophenyl)-9H-fluoren-9-ol
CID 18324238
(1R,2R,19R,20R)-1,2-dibromoundecacyclo[18.16.2.29,12.02,10.03,8.011,19.013,18.021,26.027,38.030,37.031,36]tetraconta-3,5,7,9,11,13,15,17,21,23,25,27(38),28,30(37),31,33,35,39-octadecaene
CID 134958993
1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene
CID 13306900
1,2-diphenyl-9H-fluoren-9-amine
CID 174821160
1,9-dimethyl-9H-fluorene
CID 28227
9-methyl-9H-fluorene;prop-1-ene
CID 145012304
chloro-(9H-fluoren-9-yl)-methylsilane
CID 91867940

Frequently Asked Questions

What is the IUPAC name of 11,12-dibromo-11,12-dihydroindeno[2,1-a]fluorene?
The IUPAC name of 11,12-dibromo-11,12-dihydroindeno[2,1-a]fluorene (CID 132512258) is 11,12-dibromo-11,12-dihydroindeno[2,1-a]fluorene.
What is the SMILES notation for 11,12-dibromo-11,12-dihydroindeno[2,1-a]fluorene?
The canonical SMILES for 11,12-dibromo-11,12-dihydroindeno[2,1-a]fluorene is BrC1c2ccccc2-c2ccc3c(c21)C(Br)c1ccccc1-3.
What is the InChIKey of 11,12-dibromo-11,12-dihydroindeno[2,1-a]fluorene?
The InChIKey is APXKVVVPFHHXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br2/c21-19-15-7-3-1-5-11(15)13-9-10-14-12-6-2-4-8-16(12)20(22)18(14)17(13)19/h1-10,19-20H.
What are the key properties of 11,12-dibromo-11,12-dihydroindeno[2,1-a]fluorene?
11,12-dibromo-11,12-dihydroindeno[2,1-a]fluorene has a molecular weight of 412.12 g/mol, XLogP of 6.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dibromo-11,12-dihydroindeno[2,1-a]fluorene is sourced from PubChem (CID 132512258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).