4-[4-[4-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylbenzenethiol

C36H26S6 — CID 102317381

IUPAC4-[4-[4-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylbenzenethiol
SMILESSc1ccc(Sc2ccc(Sc3ccc(Sc4ccc(Sc5ccc(Sc6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H26S6/c37-26-6-8-28(9-7-26)39-30-14-16-32(17-15-30)41-34-22-24-36(25-23-34)42-35-20-18-33(19-21-35)40-31-12-10-29(11-13-31)38-27-4-2-1-3-5-27/h1-25,37H
InChIKeyNOIAFPGRWPNNQA-UHFFFAOYSA-N
MW651.01 g/mol
LogP12.73
Rot. Bonds10

About 4-[4-[4-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylbenzenethiol

4-[4-[4-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylbenzenethiol (PubChem CID 102317381) has the molecular formula C36H26S6 and a molecular weight of 651.01 g/mol. Its IUPAC name is 4-[4-[4-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylbenzenethiol.

Molecular Properties

Compound Name4-[4-[4-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylbenzenethiol
PubChem CID102317381
Molecular FormulaC36H26S6
Molecular Weight651.01 g/mol
Exact Mass650.04
IUPAC Name4-[4-[4-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylbenzenethiol
SMILESSc1ccc(Sc2ccc(Sc3ccc(Sc4ccc(Sc5ccc(Sc6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H26S6/c37-26-6-8-28(9-7-26)39-30-14-16-32(17-15-30)41-34-22-24-36(25-23-34)42-35-20-18-33(19-21-35)40-31-12-10-29(11-13-31)38-27-4-2-1-3-5-27/h1-25,37H
InChIKeyNOIAFPGRWPNNQA-UHFFFAOYSA-N
XLogP12.73
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.01
LogP ≤ 512.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-methylsulfanyl-4-phenylsulfanylbenzene;4-phenylsulfanylbenzenethiol
CID 67629763
CID 66690055
CID 66690055
1,4-bis(phenylsulfanyl)benzene;ethane;tritiomethane
CID 158378208
ethanethiol;phenylsulfanylbenzene
CID 174826904
methoxymethane;phenylsulfanylbenzene
CID 175087336
dichlororuthenium;phenylsulfanylbenzene
CID 18541858
1,3-bis[(3-phenylsulfanylphenyl)sulfanyl]benzene
CID 21413042
2-methylprop-2-enoic acid;4-(4-sulfanylphenyl)sulfanylbenzenethiol
CID 159478265
phenyl-bis(4-phenylsulfanylphenyl)sulfanium
CID 21049843
1,1'-biphenyl;4-(4-sulfanylphenyl)sulfanyloxysulfanylbenzenethiol
CID 174442178
benzenethiol;ethane;methylsulfanylbenzene
CID 145032144
1-phenyl-2-(4-phenylsulfanylphenyl)benzene
CID 21416504

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylbenzenethiol?
The IUPAC name of 4-[4-[4-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylbenzenethiol (CID 102317381) is 4-[4-[4-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylbenzenethiol.
What is the SMILES notation for 4-[4-[4-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylbenzenethiol?
The canonical SMILES for 4-[4-[4-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylbenzenethiol is Sc1ccc(Sc2ccc(Sc3ccc(Sc4ccc(Sc5ccc(Sc6ccccc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[4-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylbenzenethiol?
The InChIKey is NOIAFPGRWPNNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26S6/c37-26-6-8-28(9-7-26)39-30-14-16-32(17-15-30)41-34-22-24-36(25-23-34)42-35-20-18-33(19-21-35)40-31-12-10-29(11-13-31)38-27-4-2-1-3-5-27/h1-25,37H.
What are the key properties of 4-[4-[4-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylbenzenethiol?
4-[4-[4-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylbenzenethiol has a molecular weight of 651.01 g/mol, XLogP of 12.73, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylbenzenethiol is sourced from PubChem (CID 102317381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).