[diphenyl(2-tritylsulfanylethynylsulfanyl)methyl]benzene

C40H30S2 — CID 16754466

IUPAC[diphenyl(2-tritylsulfanylethynylsulfanyl)methyl]benzene
SMILESC(#CSC(c1ccccc1)(c1ccccc1)c1ccccc1)SC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H30S2/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,35-23-11-3-12-24-35)41-31-32-42-40(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30H
InChIKeyIWWVMUSIMXFGMB-UHFFFAOYSA-N
MW574.81 g/mol
LogP10.36
Rot. Bonds8

About [diphenyl(2-tritylsulfanylethynylsulfanyl)methyl]benzene

[diphenyl(2-tritylsulfanylethynylsulfanyl)methyl]benzene (PubChem CID 16754466) has the molecular formula C40H30S2 and a molecular weight of 574.81 g/mol. Its IUPAC name is [diphenyl(2-tritylsulfanylethynylsulfanyl)methyl]benzene.

Molecular Properties

Compound Name[diphenyl(2-tritylsulfanylethynylsulfanyl)methyl]benzene
PubChem CID16754466
Molecular FormulaC40H30S2
Molecular Weight574.81 g/mol
Exact Mass574.18
IUPAC Name[diphenyl(2-tritylsulfanylethynylsulfanyl)methyl]benzene
SMILESC(#CSC(c1ccccc1)(c1ccccc1)c1ccccc1)SC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H30S2/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,35-23-11-3-12-24-35)41-31-32-42-40(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30H
InChIKeyIWWVMUSIMXFGMB-UHFFFAOYSA-N
XLogP10.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.81
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;[methylsulfanyl(diphenyl)methyl]benzene
CID 143921889
[nitrososulfanyl(diphenyl)methyl]benzene;triphenylmethanethiol
CID 159261235
sodium triphenylmethanethiolate
CID 23672905
2-tritylsulfanylethanethiol
CID 59035458
2,2,2-triphenylethylphosphanium chloride
CID 21496958
CID 54005811
CID 54005811
2,2,2-triphenylethylsulfanium bromide
CID 172851267
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
[diphenyl(phosphanyl)methyl]phosphane
CID 23002363
1-tritylsulfanylpropan-1-ol
CID 141363719
1-methyl-4-(4-tritylsulfanylphenyl)benzene
CID 129276067

Frequently Asked Questions

What is the IUPAC name of [diphenyl(2-tritylsulfanylethynylsulfanyl)methyl]benzene?
The IUPAC name of [diphenyl(2-tritylsulfanylethynylsulfanyl)methyl]benzene (CID 16754466) is [diphenyl(2-tritylsulfanylethynylsulfanyl)methyl]benzene.
What is the SMILES notation for [diphenyl(2-tritylsulfanylethynylsulfanyl)methyl]benzene?
The canonical SMILES for [diphenyl(2-tritylsulfanylethynylsulfanyl)methyl]benzene is C(#CSC(c1ccccc1)(c1ccccc1)c1ccccc1)SC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [diphenyl(2-tritylsulfanylethynylsulfanyl)methyl]benzene?
The InChIKey is IWWVMUSIMXFGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30S2/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,35-23-11-3-12-24-35)41-31-32-42-40(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30H.
What are the key properties of [diphenyl(2-tritylsulfanylethynylsulfanyl)methyl]benzene?
[diphenyl(2-tritylsulfanylethynylsulfanyl)methyl]benzene has a molecular weight of 574.81 g/mol, XLogP of 10.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl(2-tritylsulfanylethynylsulfanyl)methyl]benzene is sourced from PubChem (CID 16754466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).