bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide

C6H5I — CID 174338176

IUPACbicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide
SMILESI.c1cc2cc-2c1
InChIInChI=1S/C6H4.HI/c1-2-5-4-6(5)3-1;/h1-4H;1H
InChIKeyCBTBULHTKSJDIM-UHFFFAOYSA-N
MW204.01 g/mol
LogP2.29
Rot. Bonds

About bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide

bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide (PubChem CID 174338176) has the molecular formula C6H5I and a molecular weight of 204.01 g/mol. Its IUPAC name is bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide.

Molecular Properties

Compound Namebicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide
PubChem CID174338176
Molecular FormulaC6H5I
Molecular Weight204.01 g/mol
Exact Mass203.94
IUPAC Namebicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide
SMILESI.c1cc2cc-2c1
InChIInChI=1S/C6H4.HI/c1-2-5-4-6(5)3-1;/h1-4H;1H
InChIKeyCBTBULHTKSJDIM-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.01
LogP ≤ 52.29
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

CID 174404159
CID 174404159
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
bicyclo[3.1.0]hexa-1(6),2,4-triene;methanediol
CID 175364747
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethene;methanol
CID 174589601
bis(1,3-diphenylbenzene);ethane
CID 144938975
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
acetonitrile;bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 22320800
1,3-diphenylbenzene;ethane;methane
CID 171489435

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide?
The IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide (CID 174338176) is bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide.
What is the SMILES notation for bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide?
The canonical SMILES for bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide is I.c1cc2cc-2c1.
What is the InChIKey of bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide?
The InChIKey is CBTBULHTKSJDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.HI/c1-2-5-4-6(5)3-1;/h1-4H;1H.
What are the key properties of bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide?
bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide has a molecular weight of 204.01 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide is sourced from PubChem (CID 174338176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).