[3,5-bis[bis[(4-ethenylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-ethenylphenyl)sulfanyl]stibane

C54H45S6Sb3 — CID 172769796

IUPAC[3,5-bis[bis[(4-ethenylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-ethenylphenyl)sulfanyl]stibane
SMILESC=Cc1ccc(S[Sb](Sc2ccc(C=C)cc2)c2cc([Sb](Sc3ccc(C=C)cc3)Sc3ccc(C=C)cc3)cc([Sb](Sc3ccc(C=C)cc3)Sc3ccc(C=C)cc3)c2)cc1
InChIInChI=1S/6C8H8S.C6H3.3Sb/c6*1-2-7-3-5-8(9)6-4-7;1-2-4-6-5-3-1;;;/h6*2-6,9H,1H2;1,4-5H;;;/q;;;;;;;3*+2/p-6
InChIKeyMUNBUTBPLZVIAS-UHFFFAOYSA-H
MW1251.64 g/mol
LogP15.38
Rot. Bonds21

About [3,5-bis[bis[(4-ethenylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-ethenylphenyl)sulfanyl]stibane

[3,5-bis[bis[(4-ethenylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-ethenylphenyl)sulfanyl]stibane (PubChem CID 172769796) has the molecular formula C54H45S6Sb3 and a molecular weight of 1251.64 g/mol. Its IUPAC name is [3,5-bis[bis[(4-ethenylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-ethenylphenyl)sulfanyl]stibane.

Molecular Properties

Compound Name[3,5-bis[bis[(4-ethenylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-ethenylphenyl)sulfanyl]stibane
PubChem CID172769796
Molecular FormulaC54H45S6Sb3
Molecular Weight1251.64 g/mol
Exact Mass1247.90
IUPAC Name[3,5-bis[bis[(4-ethenylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-ethenylphenyl)sulfanyl]stibane
SMILESC=Cc1ccc(S[Sb](Sc2ccc(C=C)cc2)c2cc([Sb](Sc3ccc(C=C)cc3)Sc3ccc(C=C)cc3)cc([Sb](Sc3ccc(C=C)cc3)Sc3ccc(C=C)cc3)c2)cc1
InChIInChI=1S/6C8H8S.C6H3.3Sb/c6*1-2-7-3-5-8(9)6-4-7;1-2-4-6-5-3-1;;;/h6*2-6,9H,1H2;1,4-5H;;;/q;;;;;;;3*+2/p-6
InChIKeyMUNBUTBPLZVIAS-UHFFFAOYSA-H
XLogP15.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001251.64
LogP ≤ 515.38
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

1-ethenyl-4-[(4-ethenylphenyl)trisulfanyl]benzene
CID 141234913
1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene
CID 14745002
1-(tert-butyldisulfanyl)-4-ethenylbenzene
CID 118023174
1-ethenyl-4-(trioxidanylsulfanyl)benzene
CID 89373833
tris[(4-buta-1,3-dienylphenyl)sulfanyl]stibane
CID 172689484
1-ethenyl-4-hydroxysulfanylbenzene;2-methylpropan-2-ol
CID 142446449
(4-ethenylphenyl) carbamodithioate
CID 87497849
1,3,5-tris(ethenyl)benzene
CID 10219562
1,3,5,7-tetrakis(4-ethenylphenyl)naphthalene
CID 140790330
S-(4-ethenylphenyl) 2-methylpropanethioate
CID 139751959
1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
CID 163649628
1,4-bis(ethenyl)benzene;urea
CID 18766675

Frequently Asked Questions

What is the IUPAC name of [3,5-bis[bis[(4-ethenylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-ethenylphenyl)sulfanyl]stibane?
The IUPAC name of [3,5-bis[bis[(4-ethenylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-ethenylphenyl)sulfanyl]stibane (CID 172769796) is [3,5-bis[bis[(4-ethenylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-ethenylphenyl)sulfanyl]stibane.
What is the SMILES notation for [3,5-bis[bis[(4-ethenylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-ethenylphenyl)sulfanyl]stibane?
The canonical SMILES for [3,5-bis[bis[(4-ethenylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-ethenylphenyl)sulfanyl]stibane is C=Cc1ccc(S[Sb](Sc2ccc(C=C)cc2)c2cc([Sb](Sc3ccc(C=C)cc3)Sc3ccc(C=C)cc3)cc([Sb](Sc3ccc(C=C)cc3)Sc3ccc(C=C)cc3)c2)cc1.
What is the InChIKey of [3,5-bis[bis[(4-ethenylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-ethenylphenyl)sulfanyl]stibane?
The InChIKey is MUNBUTBPLZVIAS-UHFFFAOYSA-H. The full InChI is InChI=1S/6C8H8S.C6H3.3Sb/c6*1-2-7-3-5-8(9)6-4-7;1-2-4-6-5-3-1;;;/h6*2-6,9H,1H2;1,4-5H;;;/q;;;;;;;3*+2/p-6.
What are the key properties of [3,5-bis[bis[(4-ethenylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-ethenylphenyl)sulfanyl]stibane?
[3,5-bis[bis[(4-ethenylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-ethenylphenyl)sulfanyl]stibane has a molecular weight of 1251.64 g/mol, XLogP of 15.38, 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-ethenylphenyl)sulfanyl]stibanyl]phenyl]-bis[(4-ethenylphenyl)sulfanyl]stibane is sourced from PubChem (CID 172769796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).