4-[[3,5-bis[bis[[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanyl]stibanyl]phenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanylstibanyl]sulfanyl-N-buta-1,3-dienylbenzamide

C72H63N6O6S6Sb3 — CID 172697066

IUPAC4-[[3,5-bis[bis[[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanyl]stibanyl]phenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanylstibanyl]sulfanyl-N-buta-1,3-dienylbenzamide
SMILESC=CC=CNC(=O)c1ccc(S[Sb](Sc2ccc(C(=O)NC=CC=C)cc2)c2cc([Sb](Sc3ccc(C(=O)NC=CC=C)cc3)Sc3ccc(C(=O)NC=CC=C)cc3)cc([Sb](Sc3ccc(C(=O)NC=CC=C)cc3)Sc3ccc(C(=O)NC=CC=C)cc3)c2)cc1
InChIInChI=1S/6C11H11NOS.C6H3.3Sb/c6*1-2-3-8-12-11(13)9-4-6-10(14)7-5-9;1-2-4-6-5-3-1;;;/h6*2-8,14H,1H2,(H,12,13);1,4-5H;;;/q;;;;;;;3*+2/p-6
InChIKeyCLPXBHOWDJQRGK-UHFFFAOYSA-H
MW1666.01 g/mol
LogP14.10
Rot. Bonds33

About 4-[[3,5-bis[bis[[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanyl]stibanyl]phenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanylstibanyl]sulfanyl-N-buta-1,3-dienylbenzamide

4-[[3,5-bis[bis[[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanyl]stibanyl]phenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanylstibanyl]sulfanyl-N-buta-1,3-dienylbenzamide (PubChem CID 172697066) has the molecular formula C72H63N6O6S6Sb3 and a molecular weight of 1666.01 g/mol. Its IUPAC name is 4-[[3,5-bis[bis[[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanyl]stibanyl]phenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanylstibanyl]sulfanyl-N-buta-1,3-dienylbenzamide.

Molecular Properties

Compound Name4-[[3,5-bis[bis[[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanyl]stibanyl]phenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanylstibanyl]sulfanyl-N-buta-1,3-dienylbenzamide
PubChem CID172697066
Molecular FormulaC72H63N6O6S6Sb3
Molecular Weight1666.01 g/mol
Exact Mass1662.02
IUPAC Name4-[[3,5-bis[bis[[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanyl]stibanyl]phenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanylstibanyl]sulfanyl-N-buta-1,3-dienylbenzamide
SMILESC=CC=CNC(=O)c1ccc(S[Sb](Sc2ccc(C(=O)NC=CC=C)cc2)c2cc([Sb](Sc3ccc(C(=O)NC=CC=C)cc3)Sc3ccc(C(=O)NC=CC=C)cc3)cc([Sb](Sc3ccc(C(=O)NC=CC=C)cc3)Sc3ccc(C(=O)NC=CC=C)cc3)c2)cc1
InChIInChI=1S/6C11H11NOS.C6H3.3Sb/c6*1-2-3-8-12-11(13)9-4-6-10(14)7-5-9;1-2-4-6-5-3-1;;;/h6*2-8,14H,1H2,(H,12,13);1,4-5H;;;/q;;;;;;;3*+2/p-6
InChIKeyCLPXBHOWDJQRGK-UHFFFAOYSA-H
XLogP14.10
TPSA174.60 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds33
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001666.01
LogP ≤ 514.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-bis[bis[[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanyl]stibanyl]phenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanylstibanyl]sulfanyl-N-buta-1,3-dienylbenzamide?
The IUPAC name of 4-[[3,5-bis[bis[[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanyl]stibanyl]phenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanylstibanyl]sulfanyl-N-buta-1,3-dienylbenzamide (CID 172697066) is 4-[[3,5-bis[bis[[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanyl]stibanyl]phenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanylstibanyl]sulfanyl-N-buta-1,3-dienylbenzamide.
What is the SMILES notation for 4-[[3,5-bis[bis[[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanyl]stibanyl]phenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanylstibanyl]sulfanyl-N-buta-1,3-dienylbenzamide?
The canonical SMILES for 4-[[3,5-bis[bis[[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanyl]stibanyl]phenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanylstibanyl]sulfanyl-N-buta-1,3-dienylbenzamide is C=CC=CNC(=O)c1ccc(S[Sb](Sc2ccc(C(=O)NC=CC=C)cc2)c2cc([Sb](Sc3ccc(C(=O)NC=CC=C)cc3)Sc3ccc(C(=O)NC=CC=C)cc3)cc([Sb](Sc3ccc(C(=O)NC=CC=C)cc3)Sc3ccc(C(=O)NC=CC=C)cc3)c2)cc1.
What is the InChIKey of 4-[[3,5-bis[bis[[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanyl]stibanyl]phenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanylstibanyl]sulfanyl-N-buta-1,3-dienylbenzamide?
The InChIKey is CLPXBHOWDJQRGK-UHFFFAOYSA-H. The full InChI is InChI=1S/6C11H11NOS.C6H3.3Sb/c6*1-2-3-8-12-11(13)9-4-6-10(14)7-5-9;1-2-4-6-5-3-1;;;/h6*2-8,14H,1H2,(H,12,13);1,4-5H;;;/q;;;;;;;3*+2/p-6.
What are the key properties of 4-[[3,5-bis[bis[[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanyl]stibanyl]phenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanylstibanyl]sulfanyl-N-buta-1,3-dienylbenzamide?
4-[[3,5-bis[bis[[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanyl]stibanyl]phenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanylstibanyl]sulfanyl-N-buta-1,3-dienylbenzamide has a molecular weight of 1666.01 g/mol, XLogP of 14.10, 33 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-bis[bis[[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanyl]stibanyl]phenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]sulfanylstibanyl]sulfanyl-N-buta-1,3-dienylbenzamide is sourced from PubChem (CID 172697066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).