CID 173073657

C14H9Se — CID 173073657

IUPAC—
SMILES[Se]c1cccc(C#Cc2ccccc2)c1
InChIInChI=1S/C14H9Se/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H
InChIKeyYCBGUFSIGMMJTB-UHFFFAOYSA-N
MW256.19 g/mol
LogP1.88
Rot. Bonds

About CID 173073657

CID 173073657 (PubChem CID 173073657) has the molecular formula C14H9Se and a molecular weight of 256.19 g/mol.

Molecular Properties

Compound NameCID 173073657
PubChem CID173073657
Molecular FormulaC14H9Se
Molecular Weight256.19 g/mol
Exact Mass256.99
IUPAC Name—
SMILES[Se]c1cccc(C#Cc2ccccc2)c1
InChIInChI=1S/C14H9Se/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H
InChIKeyYCBGUFSIGMMJTB-UHFFFAOYSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 175266779
2-(2-phenylethynyl)azulene
CID 139039957
trimethyl-[3-(2-phenylethynyl)phenyl]silane
CID 66902044
3-[3-[3-oxo-2,4-diphenyl-5-[3-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenyl]-2,5-diphenyl-4-[3-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one
CID 71210162

Frequently Asked Questions

What is the IUPAC name of CID 173073657?
The IUPAC name of CID 173073657 (CID 173073657) is not available.
What is the SMILES notation for CID 173073657?
The canonical SMILES for CID 173073657 is [Se]c1cccc(C#Cc2ccccc2)c1.
What is the InChIKey of CID 173073657?
The InChIKey is YCBGUFSIGMMJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Se/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H.
What are the key properties of CID 173073657?
CID 173073657 has a molecular weight of 256.19 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173073657 is sourced from PubChem (CID 173073657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).