CID 135041196

C8H5In — CID 135041196

IUPAC—
SMILES[In]C#Cc1ccccc1
InChIInChI=1S/C8H5.In/c1-2-8-6-4-3-5-7-8;/h3-7H;
InChIKeyFEOIZQPPFUCCID-UHFFFAOYSA-N
MW215.95 g/mol
LogP1.16
Rot. Bonds

About CID 135041196

CID 135041196 (PubChem CID 135041196) has the molecular formula C8H5In and a molecular weight of 215.95 g/mol.

Molecular Properties

Compound NameCID 135041196
PubChem CID135041196
Molecular FormulaC8H5In
Molecular Weight215.95 g/mol
Exact Mass215.94
IUPAC Name—
SMILES[In]C#Cc1ccccc1
InChIInChI=1S/C8H5.In/c1-2-8-6-4-3-5-7-8;/h3-7H;
InChIKeyFEOIZQPPFUCCID-UHFFFAOYSA-N
XLogP1.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.95
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1,6-diphenylhex-3-en-1,5-diyne-3,4-dithiol
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methyl-bis(2-phenylethynyl)alumane
CID 177448943
1-(2-phenylethynyl)-4-[(Z)-2-[4-(2-phenylethynyl)phenyl]ethenyl]benzene
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1,4-bis[4-(2-phenylethynyl)phenyl]benzene
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prop-1-ynylbenzene
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Frequently Asked Questions

What is the IUPAC name of CID 135041196?
The IUPAC name of CID 135041196 (CID 135041196) is not available.
What is the SMILES notation for CID 135041196?
The canonical SMILES for CID 135041196 is [In]C#Cc1ccccc1.
What is the InChIKey of CID 135041196?
The InChIKey is FEOIZQPPFUCCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5.In/c1-2-8-6-4-3-5-7-8;/h3-7H;.
What are the key properties of CID 135041196?
CID 135041196 has a molecular weight of 215.95 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135041196 is sourced from PubChem (CID 135041196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).