(4-methylphenyl)-bis(2-phenylethynyl)stibane

C23H17Sb — CID 11452729

IUPAC(4-methylphenyl)-bis(2-phenylethynyl)stibane
SMILESCc1ccc([Sb](C#Cc2ccccc2)C#Cc2ccccc2)cc1
InChIInChI=1S/2C8H5.C7H7.Sb/c2*1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7;/h2*3-7H;3-6H,1H3;
InChIKeyAOPINOSXQVTHEK-UHFFFAOYSA-N
MW415.15 g/mol
LogP3.88
Rot. Bonds1

About (4-methylphenyl)-bis(2-phenylethynyl)stibane

(4-methylphenyl)-bis(2-phenylethynyl)stibane (PubChem CID 11452729) has the molecular formula C23H17Sb and a molecular weight of 415.15 g/mol. Its IUPAC name is (4-methylphenyl)-bis(2-phenylethynyl)stibane.

Molecular Properties

Compound Name(4-methylphenyl)-bis(2-phenylethynyl)stibane
PubChem CID11452729
Molecular FormulaC23H17Sb
Molecular Weight415.15 g/mol
Exact Mass414.04
IUPAC Name(4-methylphenyl)-bis(2-phenylethynyl)stibane
SMILESCc1ccc([Sb](C#Cc2ccccc2)C#Cc2ccccc2)cc1
InChIInChI=1S/2C8H5.C7H7.Sb/c2*1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7;/h2*3-7H;3-6H,1H3;
InChIKeyAOPINOSXQVTHEK-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.15
LogP ≤ 53.88
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

ethane;1-methyl-4-(2-phenylethynyl)benzene
CID 91544809
1-methyl-4-[2-[2-[2-[2-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
CID 25058797
1-methyl-4-(3-phenylprop-2-ynyl)benzene
CID 102348666
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
benzene;bis(1,4-xylene)
CID 159472747
1-methyl-4-(4-phenylbut-3-yn-2-yl)benzene
CID 102286011
prop-1-yne;prop-1-ynylbenzene;toluene
CID 91009204
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
2-[2-(4-methylphenyl)ethynyl]phenol
CID 20579578
radon;toluene;1,4-xylene
CID 174747246
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-bis(2-phenylethynyl)stibane?
The IUPAC name of (4-methylphenyl)-bis(2-phenylethynyl)stibane (CID 11452729) is (4-methylphenyl)-bis(2-phenylethynyl)stibane.
What is the SMILES notation for (4-methylphenyl)-bis(2-phenylethynyl)stibane?
The canonical SMILES for (4-methylphenyl)-bis(2-phenylethynyl)stibane is Cc1ccc([Sb](C#Cc2ccccc2)C#Cc2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl)-bis(2-phenylethynyl)stibane?
The InChIKey is AOPINOSXQVTHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H5.C7H7.Sb/c2*1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7;/h2*3-7H;3-6H,1H3;.
What are the key properties of (4-methylphenyl)-bis(2-phenylethynyl)stibane?
(4-methylphenyl)-bis(2-phenylethynyl)stibane has a molecular weight of 415.15 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-bis(2-phenylethynyl)stibane is sourced from PubChem (CID 11452729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).