6,12-diiodo-2,6,8,12-tetramethylindeno[1,2-b]fluorene

C24H20I2 — CID 129239066

IUPAC6,12-diiodo-2,6,8,12-tetramethylindeno[1,2-b]fluorene
SMILESCc1ccc2c(c1)C(C)(I)c1cc3c(cc1-2)C(C)(I)c1cc(C)ccc1-3
InChIInChI=1S/C24H20I2/c1-13-5-7-15-17-11-22-18(12-21(17)23(3,25)19(15)9-13)16-8-6-14(2)10-20(16)24(22,4)26/h5-12H,1-4H3
InChIKeyGEPBALMVAVJENV-UHFFFAOYSA-N
MW562.23 g/mol
LogP7.66
Rot. Bonds

About 6,12-diiodo-2,6,8,12-tetramethylindeno[1,2-b]fluorene

6,12-diiodo-2,6,8,12-tetramethylindeno[1,2-b]fluorene (PubChem CID 129239066) has the molecular formula C24H20I2 and a molecular weight of 562.23 g/mol. Its IUPAC name is 6,12-diiodo-2,6,8,12-tetramethylindeno[1,2-b]fluorene.

Molecular Properties

Compound Name6,12-diiodo-2,6,8,12-tetramethylindeno[1,2-b]fluorene
PubChem CID129239066
Molecular FormulaC24H20I2
Molecular Weight562.23 g/mol
Exact Mass561.97
IUPAC Name6,12-diiodo-2,6,8,12-tetramethylindeno[1,2-b]fluorene
SMILESCc1ccc2c(c1)C(C)(I)c1cc3c(cc1-2)C(C)(I)c1cc(C)ccc1-3
InChIInChI=1S/C24H20I2/c1-13-5-7-15-17-11-22-18(12-21(17)23(3,25)19(15)9-13)16-8-6-14(2)10-20(16)24(22,4)26/h5-12H,1-4H3
InChIKeyGEPBALMVAVJENV-UHFFFAOYSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.23
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,7,9,9-tetramethylfluorene
CID 22951928
2,6,9,9-tetramethylfluorene
CID 23527438
ethane;9-fluoro-2,7,9-trimethylfluorene
CID 142891538
2',7'-dimethyl-9,9'-spirobi[fluorene]-2,3,6,7-tetramine
CID 163763499
CID 58607554
CID 58607554
9,9-difluoro-2,7-dimethylfluorene
CID 58776367
2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine
CID 58309340
2,2',3',6',7,7'-hexamethyl-9,9'-spirobi[fluorene];methane
CID 158619451
2,6,6,10,12,12-hexamethylindeno[1,2-b]fluorene
CID 142540848
1,1,6-trimethyl-2,3-dimethylideneindene
CID 145331674
9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 158311989
ethane;methane;2,9,9-trimethylfluorene
CID 144920604

Frequently Asked Questions

What is the IUPAC name of 6,12-diiodo-2,6,8,12-tetramethylindeno[1,2-b]fluorene?
The IUPAC name of 6,12-diiodo-2,6,8,12-tetramethylindeno[1,2-b]fluorene (CID 129239066) is 6,12-diiodo-2,6,8,12-tetramethylindeno[1,2-b]fluorene.
What is the SMILES notation for 6,12-diiodo-2,6,8,12-tetramethylindeno[1,2-b]fluorene?
The canonical SMILES for 6,12-diiodo-2,6,8,12-tetramethylindeno[1,2-b]fluorene is Cc1ccc2c(c1)C(C)(I)c1cc3c(cc1-2)C(C)(I)c1cc(C)ccc1-3.
What is the InChIKey of 6,12-diiodo-2,6,8,12-tetramethylindeno[1,2-b]fluorene?
The InChIKey is GEPBALMVAVJENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20I2/c1-13-5-7-15-17-11-22-18(12-21(17)23(3,25)19(15)9-13)16-8-6-14(2)10-20(16)24(22,4)26/h5-12H,1-4H3.
What are the key properties of 6,12-diiodo-2,6,8,12-tetramethylindeno[1,2-b]fluorene?
6,12-diiodo-2,6,8,12-tetramethylindeno[1,2-b]fluorene has a molecular weight of 562.23 g/mol, XLogP of 7.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-diiodo-2,6,8,12-tetramethylindeno[1,2-b]fluorene is sourced from PubChem (CID 129239066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).