1-(2-phenylethynyl)-2-phenylselanylbenzene

C20H14Se — CID 102230888

IUPAC1-(2-phenylethynyl)-2-phenylselanylbenzene
SMILESC(#Cc1ccccc1[Se]c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14Se/c1-3-9-17(10-4-1)15-16-18-11-7-8-14-20(18)21-19-12-5-2-6-13-19/h1-14H
InChIKeyMWIDBGCOXZNHTE-UHFFFAOYSA-N
MW333.29 g/mol
LogP2.74
Rot. Bonds2

About 1-(2-phenylethynyl)-2-phenylselanylbenzene

1-(2-phenylethynyl)-2-phenylselanylbenzene (PubChem CID 102230888) has the molecular formula C20H14Se and a molecular weight of 333.29 g/mol. Its IUPAC name is 1-(2-phenylethynyl)-2-phenylselanylbenzene.

Molecular Properties

Compound Name1-(2-phenylethynyl)-2-phenylselanylbenzene
PubChem CID102230888
Molecular FormulaC20H14Se
Molecular Weight333.29 g/mol
Exact Mass334.03
IUPAC Name1-(2-phenylethynyl)-2-phenylselanylbenzene
SMILESC(#Cc1ccccc1[Se]c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14Se/c1-3-9-17(10-4-1)15-16-18-11-7-8-14-20(18)21-19-12-5-2-6-13-19/h1-14H
InChIKeyMWIDBGCOXZNHTE-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 52.74
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

1-(2-phenylethynyl)-2-[2-[2-[2-[2-(2-phenylethynyl)phenyl]phenyl]ethynyl]phenyl]benzene
CID 134956691
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
1-bromo-2-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene
CID 141055556
1-chloro-2-phenylselanylbenzene
CID 11054651
2-phenylethynylbenzene;sulfur dioxide
CID 175266779
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
oxophosphanium;2-phenylethynylbenzene
CID 161111354
phenylselanylbenzene;dihydrochloride
CID 87206847
1,4-bis[4-(2-phenylethynyl)phenyl]benzene
CID 3111099
1-(2-phenylethynyl)-5-[5-(2-phenylethynyl)naphthalen-1-yl]naphthalene
CID 139963297

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethynyl)-2-phenylselanylbenzene?
The IUPAC name of 1-(2-phenylethynyl)-2-phenylselanylbenzene (CID 102230888) is 1-(2-phenylethynyl)-2-phenylselanylbenzene.
What is the SMILES notation for 1-(2-phenylethynyl)-2-phenylselanylbenzene?
The canonical SMILES for 1-(2-phenylethynyl)-2-phenylselanylbenzene is C(#Cc1ccccc1[Se]c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-phenylethynyl)-2-phenylselanylbenzene?
The InChIKey is MWIDBGCOXZNHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Se/c1-3-9-17(10-4-1)15-16-18-11-7-8-14-20(18)21-19-12-5-2-6-13-19/h1-14H.
What are the key properties of 1-(2-phenylethynyl)-2-phenylselanylbenzene?
1-(2-phenylethynyl)-2-phenylselanylbenzene has a molecular weight of 333.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethynyl)-2-phenylselanylbenzene is sourced from PubChem (CID 102230888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).