[3,5-bis[bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibane

C60H57S6Sb3 — CID 172741400

IUPAC[3,5-bis[bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibane
SMILESC=C(C)c1ccc(S[Sb](Sc2ccc(C(=C)C)cc2)c2cc([Sb](Sc3ccc(C(=C)C)cc3)Sc3ccc(C(=C)C)cc3)cc([Sb](Sc3ccc(C(=C)C)cc3)Sc3ccc(C(=C)C)cc3)c2)cc1
InChIInChI=1S/6C9H10S.C6H3.3Sb/c6*1-7(2)8-3-5-9(10)6-4-8;1-2-4-6-5-3-1;;;/h6*3-6,10H,1H2,2H3;1,4-5H;;;/q;;;;;;;3*+2/p-6
InChIKeyJDLTUYFYUMCQAH-UHFFFAOYSA-H
MW1335.80 g/mol
LogP17.72
Rot. Bonds21

About [3,5-bis[bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibane

[3,5-bis[bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibane (PubChem CID 172741400) has the molecular formula C60H57S6Sb3 and a molecular weight of 1335.80 g/mol. Its IUPAC name is [3,5-bis[bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibane.

Molecular Properties

Compound Name[3,5-bis[bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibane
PubChem CID172741400
Molecular FormulaC60H57S6Sb3
Molecular Weight1335.80 g/mol
Exact Mass1331.99
IUPAC Name[3,5-bis[bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibane
SMILESC=C(C)c1ccc(S[Sb](Sc2ccc(C(=C)C)cc2)c2cc([Sb](Sc3ccc(C(=C)C)cc3)Sc3ccc(C(=C)C)cc3)cc([Sb](Sc3ccc(C(=C)C)cc3)Sc3ccc(C(=C)C)cc3)c2)cc1
InChIInChI=1S/6C9H10S.C6H3.3Sb/c6*1-7(2)8-3-5-9(10)6-4-8;1-2-4-6-5-3-1;;;/h6*3-6,10H,1H2,2H3;1,4-5H;;;/q;;;;;;;3*+2/p-6
InChIKeyJDLTUYFYUMCQAH-UHFFFAOYSA-H
XLogP17.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001335.80
LogP ≤ 517.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

prop-1-en-2-yl 4-[[4-bis[(4-prop-1-en-2-yloxycarbonylphenyl)sulfanyl]stibanylphenyl]-(4-prop-1-en-2-yloxycarbonylphenyl)sulfanylstibanyl]sulfanylbenzoate
CID 172682306
1-prop-1-en-2-yl-4-(trifluoromethylsulfanyl)benzene
CID 67046987
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
tris(4-prop-1-en-2-ylphenyl) stiborite
CID 172799165
1-(methylsulfanylmethyl)-4-prop-1-en-2-ylbenzene
CID 102248016
2-prop-1-en-2-yltriphenylene
CID 142551751
1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene
CID 143923034
prop-1-en-2-ylbenzene;silane
CID 174724970
1-methyl-3,5-bis(prop-1-en-2-yl)benzene
CID 142935126
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
3-(4-prop-1-en-2-ylphenyl)but-2-en-2-ylsilane
CID 173396916
1,2,4-tris(prop-1-en-2-yl)benzene
CID 11194966

Frequently Asked Questions

What is the IUPAC name of [3,5-bis[bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibane?
The IUPAC name of [3,5-bis[bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibane (CID 172741400) is [3,5-bis[bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibane.
What is the SMILES notation for [3,5-bis[bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibane?
The canonical SMILES for [3,5-bis[bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibane is C=C(C)c1ccc(S[Sb](Sc2ccc(C(=C)C)cc2)c2cc([Sb](Sc3ccc(C(=C)C)cc3)Sc3ccc(C(=C)C)cc3)cc([Sb](Sc3ccc(C(=C)C)cc3)Sc3ccc(C(=C)C)cc3)c2)cc1.
What is the InChIKey of [3,5-bis[bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibane?
The InChIKey is JDLTUYFYUMCQAH-UHFFFAOYSA-H. The full InChI is InChI=1S/6C9H10S.C6H3.3Sb/c6*1-7(2)8-3-5-9(10)6-4-8;1-2-4-6-5-3-1;;;/h6*3-6,10H,1H2,2H3;1,4-5H;;;/q;;;;;;;3*+2/p-6.
What are the key properties of [3,5-bis[bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibane?
[3,5-bis[bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibane has a molecular weight of 1335.80 g/mol, XLogP of 17.72, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-prop-1-en-2-ylphenyl)sulfanyl]stibane is sourced from PubChem (CID 172741400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).