2,3-dihexyl-6,7-diiodobiphenylene

C24H30I2 — CID 176885795

IUPAC2,3-dihexyl-6,7-diiodobiphenylene
SMILESCCCCCCc1cc2c(cc1CCCCCC)=c1cc(I)c(I)cc1=2
InChIInChI=1S/C24H30I2/c1-3-5-7-9-11-17-13-19-20(14-18(17)12-10-8-6-4-2)22-16-24(26)23(25)15-21(19)22/h13-16H,3-12H2,1-2H3
InChIKeyBKWYDRUFLDSLKH-UHFFFAOYSA-N
MW572.31 g/mol
LogP8.03
Rot. Bonds10

About 2,3-dihexyl-6,7-diiodobiphenylene

2,3-dihexyl-6,7-diiodobiphenylene (PubChem CID 176885795) has the molecular formula C24H30I2 and a molecular weight of 572.31 g/mol. Its IUPAC name is 2,3-dihexyl-6,7-diiodobiphenylene.

Molecular Properties

Compound Name2,3-dihexyl-6,7-diiodobiphenylene
PubChem CID176885795
Molecular FormulaC24H30I2
Molecular Weight572.31 g/mol
Exact Mass572.04
IUPAC Name2,3-dihexyl-6,7-diiodobiphenylene
SMILESCCCCCCc1cc2c(cc1CCCCCC)=c1cc(I)c(I)cc1=2
InChIInChI=1S/C24H30I2/c1-3-5-7-9-11-17-13-19-20(14-18(17)12-10-8-6-4-2)22-16-24(26)23(25)15-21(19)22/h13-16H,3-12H2,1-2H3
InChIKeyBKWYDRUFLDSLKH-UHFFFAOYSA-N
XLogP8.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.31
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihexyl-6,7-diiodobiphenylene?
The IUPAC name of 2,3-dihexyl-6,7-diiodobiphenylene (CID 176885795) is 2,3-dihexyl-6,7-diiodobiphenylene.
What is the SMILES notation for 2,3-dihexyl-6,7-diiodobiphenylene?
The canonical SMILES for 2,3-dihexyl-6,7-diiodobiphenylene is CCCCCCc1cc2c(cc1CCCCCC)=c1cc(I)c(I)cc1=2.
What is the InChIKey of 2,3-dihexyl-6,7-diiodobiphenylene?
The InChIKey is BKWYDRUFLDSLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30I2/c1-3-5-7-9-11-17-13-19-20(14-18(17)12-10-8-6-4-2)22-16-24(26)23(25)15-21(19)22/h13-16H,3-12H2,1-2H3.
What are the key properties of 2,3-dihexyl-6,7-diiodobiphenylene?
2,3-dihexyl-6,7-diiodobiphenylene has a molecular weight of 572.31 g/mol, XLogP of 8.03, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihexyl-6,7-diiodobiphenylene is sourced from PubChem (CID 176885795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).