1-iodobiphenylene

C12H7I — CID 23220849

IUPAC1-iodobiphenylene
SMILESIc1cccc2c1-c1ccccc1-2
InChIInChI=1S/C12H7I/c13-11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h1-7H
InChIKeyREXHAHDDKNCVAX-UHFFFAOYSA-N
MW278.09 g/mol
LogP3.94
Rot. Bonds

About 1-iodobiphenylene

1-iodobiphenylene (PubChem CID 23220849) has the molecular formula C12H7I and a molecular weight of 278.09 g/mol. Its IUPAC name is 1-iodobiphenylene.

Molecular Properties

Compound Name1-iodobiphenylene
PubChem CID23220849
Molecular FormulaC12H7I
Molecular Weight278.09 g/mol
Exact Mass277.96
IUPAC Name1-iodobiphenylene
SMILESIc1cccc2c1-c1ccccc1-2
InChIInChI=1S/C12H7I/c13-11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h1-7H
InChIKeyREXHAHDDKNCVAX-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 53.94
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

2-(2,6-diiodophenyl)-1,3-diiodobenzene
CID 91384938
1-iodobiphenylene;2-(trifluoromethyl)benzenesulfonic acid
CID 173082644
1-iodobiphenylene;4-(trifluoromethyl)benzenesulfonic acid
CID 173082697
1-iodo-2-(2-phenylphenyl)benzene
CID 12595499
1,2,3,4-tetraphenyltetraphenylene
CID 12596759
1,2-diiodobenzene;tetrahydrofluoride
CID 174612997
1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene
CID 139892613
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
1-bromo-2-[2-(2-iodophenyl)phenyl]benzene
CID 172548371
1-chloro-2-(2-chloro-6-iodophenyl)-3-iodobenzene
CID 86037310
biphenylene;hydron
CID 173077542
2-(8-iodonaphthalen-1-yl)-N-methylaniline
CID 154707911

Frequently Asked Questions

What is the IUPAC name of 1-iodobiphenylene?
The IUPAC name of 1-iodobiphenylene (CID 23220849) is 1-iodobiphenylene.
What is the SMILES notation for 1-iodobiphenylene?
The canonical SMILES for 1-iodobiphenylene is Ic1cccc2c1-c1ccccc1-2.
What is the InChIKey of 1-iodobiphenylene?
The InChIKey is REXHAHDDKNCVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7I/c13-11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h1-7H.
What are the key properties of 1-iodobiphenylene?
1-iodobiphenylene has a molecular weight of 278.09 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodobiphenylene is sourced from PubChem (CID 23220849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).