3,4,5,6-tetraiodo-2,7-dimethyl-9H-fluorene

C15H10I4 — CID 155033336

IUPAC3,4,5,6-tetraiodo-2,7-dimethyl-9H-fluorene
SMILESCc1cc2c(c(I)c1I)-c1c(cc(C)c(I)c1I)C2
InChIInChI=1S/C15H10I4/c1-6-3-8-5-9-4-7(2)13(17)15(19)11(9)10(8)14(18)12(6)16/h3-4H,5H2,1-2H3
InChIKeyIKCBXWXUBFVIRQ-UHFFFAOYSA-N
MW697.86 g/mol
LogP6.29
Rot. Bonds

About 3,4,5,6-tetraiodo-2,7-dimethyl-9H-fluorene

3,4,5,6-tetraiodo-2,7-dimethyl-9H-fluorene (PubChem CID 155033336) has the molecular formula C15H10I4 and a molecular weight of 697.86 g/mol. Its IUPAC name is 3,4,5,6-tetraiodo-2,7-dimethyl-9H-fluorene.

Molecular Properties

Compound Name3,4,5,6-tetraiodo-2,7-dimethyl-9H-fluorene
PubChem CID155033336
Molecular FormulaC15H10I4
Molecular Weight697.86 g/mol
Exact Mass697.70
IUPAC Name3,4,5,6-tetraiodo-2,7-dimethyl-9H-fluorene
SMILESCc1cc2c(c(I)c1I)-c1c(cc(C)c(I)c1I)C2
InChIInChI=1S/C15H10I4/c1-6-3-8-5-9-4-7(2)13(17)15(19)11(9)10(8)14(18)12(6)16/h3-4H,5H2,1-2H3
InChIKeyIKCBXWXUBFVIRQ-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.86
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Fluorene
CID 6853
9-Methylfluorene
CID 17299
1-Methylfluorene
CID 15604
2-Methylfluorene
CID 15026
2-Iodo-9H-fluorene
CID 224094
2-Ethyl-9H-fluorene
CID 274939
1,1,5,6-tetramethyl-2,3-dihydro-1H-indene
CID 523106
1,9-Dimethylfluorene
CID 28227
4,6-Dimethylindan
CID 15518
1-Iodo-2,3,5,6-tetramethylbenzene
CID 75011
9-Methylene-9H-fluorene
CID 78147
Fluorene-D10
CID 6913203

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetraiodo-2,7-dimethyl-9H-fluorene?
The IUPAC name of 3,4,5,6-tetraiodo-2,7-dimethyl-9H-fluorene (CID 155033336) is 3,4,5,6-tetraiodo-2,7-dimethyl-9H-fluorene.
What is the SMILES notation for 3,4,5,6-tetraiodo-2,7-dimethyl-9H-fluorene?
The canonical SMILES for 3,4,5,6-tetraiodo-2,7-dimethyl-9H-fluorene is Cc1cc2c(c(I)c1I)-c1c(cc(C)c(I)c1I)C2.
What is the InChIKey of 3,4,5,6-tetraiodo-2,7-dimethyl-9H-fluorene?
The InChIKey is IKCBXWXUBFVIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10I4/c1-6-3-8-5-9-4-7(2)13(17)15(19)11(9)10(8)14(18)12(6)16/h3-4H,5H2,1-2H3.
What are the key properties of 3,4,5,6-tetraiodo-2,7-dimethyl-9H-fluorene?
3,4,5,6-tetraiodo-2,7-dimethyl-9H-fluorene has a molecular weight of 697.86 g/mol, XLogP of 6.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetraiodo-2,7-dimethyl-9H-fluorene is sourced from PubChem (CID 155033336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).