1-[4-[4-(2,3-diphenylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-2,3-diphenylbenzene

C48H34S3 — CID 152689266

IUPAC1-[4-[4-(2,3-diphenylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-2,3-diphenylbenzene
SMILESc1ccc(-c2cccc(Sc3ccc(Sc4ccc(Sc5cccc(-c6ccccc6)c5-c5ccccc5)cc4)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C48H34S3/c1-5-15-35(16-6-1)43-23-13-25-45(47(43)37-19-9-3-10-20-37)50-41-31-27-39(28-32-41)49-40-29-33-42(34-30-40)51-46-26-14-24-44(36-17-7-2-8-18-36)48(46)38-21-11-4-12-22-38/h1-34H
InChIKeyZPFPWEWJKZRNCT-UHFFFAOYSA-N
MW707.00 g/mol
LogP14.81
Rot. Bonds10

About 1-[4-[4-(2,3-diphenylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-2,3-diphenylbenzene

1-[4-[4-(2,3-diphenylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-2,3-diphenylbenzene (PubChem CID 152689266) has the molecular formula C48H34S3 and a molecular weight of 707.00 g/mol. Its IUPAC name is 1-[4-[4-(2,3-diphenylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-2,3-diphenylbenzene.

Molecular Properties

Compound Name1-[4-[4-(2,3-diphenylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-2,3-diphenylbenzene
PubChem CID152689266
Molecular FormulaC48H34S3
Molecular Weight707.00 g/mol
Exact Mass706.18
IUPAC Name1-[4-[4-(2,3-diphenylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-2,3-diphenylbenzene
SMILESc1ccc(-c2cccc(Sc3ccc(Sc4ccc(Sc5cccc(-c6ccccc6)c5-c5ccccc5)cc4)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C48H34S3/c1-5-15-35(16-6-1)43-23-13-25-45(47(43)37-19-9-3-10-20-37)50-41-31-27-39(28-32-41)49-40-29-33-42(34-30-40)51-46-26-14-24-44(36-17-7-2-8-18-36)48(46)38-21-11-4-12-22-38/h1-34H
InChIKeyZPFPWEWJKZRNCT-UHFFFAOYSA-N
XLogP14.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.00
LogP ≤ 514.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[2-[2-(4-hydroxyphenyl)sulfanylphenyl]-3-phenylphenyl]phenyl]sulfanylphenol
CID 70593978
(2,3-diphenylphenyl) thiohypofluorite
CID 151424182
1-(4-phenylphenyl)sulfanyl-5-phenylsulfanylanthracene-9,10-dione
CID 71414553
1-phenyl-2-(4-phenylsulfanylphenyl)benzene
CID 21416504
1-phenylsulfanylbiphenylene
CID 68821739
(2,3-diphenylphenyl) thiohypofluorite;fluoroform
CID 171927851
1,2-diphenyl-3-propan-2-ylbenzene
CID 20568657
2-(2-aminophenyl)-3-phenylsulfanylaniline
CID 68792613
N-[3-chloro-5-(4-phenylphenyl)sulfanylphenyl]-2,6-diphenyl-N-(4-phenylphenyl)aniline
CID 169030502
1,2-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-phenylsulfanylbenzene;trifluoromethanesulfonic acid
CID 171928092
1-(4-aminophenyl)sulfanyl-5-phenylsulfanylanthracene-9,10-dione
CID 89229492
1-methyl-2,3-diphenylbenzene;sulfane
CID 174862423

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,3-diphenylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-2,3-diphenylbenzene?
The IUPAC name of 1-[4-[4-(2,3-diphenylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-2,3-diphenylbenzene (CID 152689266) is 1-[4-[4-(2,3-diphenylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-2,3-diphenylbenzene.
What is the SMILES notation for 1-[4-[4-(2,3-diphenylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-2,3-diphenylbenzene?
The canonical SMILES for 1-[4-[4-(2,3-diphenylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-2,3-diphenylbenzene is c1ccc(-c2cccc(Sc3ccc(Sc4ccc(Sc5cccc(-c6ccccc6)c5-c5ccccc5)cc4)cc3)c2-c2ccccc2)cc1.
What is the InChIKey of 1-[4-[4-(2,3-diphenylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-2,3-diphenylbenzene?
The InChIKey is ZPFPWEWJKZRNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34S3/c1-5-15-35(16-6-1)43-23-13-25-45(47(43)37-19-9-3-10-20-37)50-41-31-27-39(28-32-41)49-40-29-33-42(34-30-40)51-46-26-14-24-44(36-17-7-2-8-18-36)48(46)38-21-11-4-12-22-38/h1-34H.
What are the key properties of 1-[4-[4-(2,3-diphenylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-2,3-diphenylbenzene?
1-[4-[4-(2,3-diphenylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-2,3-diphenylbenzene has a molecular weight of 707.00 g/mol, XLogP of 14.81, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,3-diphenylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-2,3-diphenylbenzene is sourced from PubChem (CID 152689266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).