tetra(dibenzothiophen-4-yl)-λ4-sulfane

C48H28S5 — CID 134590724

IUPACtetra(dibenzothiophen-4-yl)-λ4-sulfane
SMILESc1ccc2c(c1)sc1c(S(c3cccc4c3sc3ccccc34)(c3cccc4c3sc3ccccc34)c3cccc4c3sc3ccccc34)cccc12
InChIInChI=1S/C48H28S5/c1-5-21-37-29(13-1)33-17-9-25-41(45(33)49-37)53(42-26-10-18-34-30-14-2-6-22-38(30)50-46(34)42,43-27-11-19-35-31-15-3-7-23-39(31)51-47(35)43)44-28-12-20-36-32-16-4-8-24-40(32)52-48(36)44/h1-28H
InChIKeyMNWNTIORGJAWHM-UHFFFAOYSA-N
MW765.09 g/mol
LogP16.50
Rot. Bonds4

About tetra(dibenzothiophen-4-yl)-λ4-sulfane

tetra(dibenzothiophen-4-yl)-λ4-sulfane (PubChem CID 134590724) has the molecular formula C48H28S5 and a molecular weight of 765.09 g/mol. Its IUPAC name is tetra(dibenzothiophen-4-yl)-λ4-sulfane.

Molecular Properties

Compound Nametetra(dibenzothiophen-4-yl)-λ4-sulfane
PubChem CID134590724
Molecular FormulaC48H28S5
Molecular Weight765.09 g/mol
Exact Mass764.08
IUPAC Nametetra(dibenzothiophen-4-yl)-λ4-sulfane
SMILESc1ccc2c(c1)sc1c(S(c3cccc4c3sc3ccccc34)(c3cccc4c3sc3ccccc34)c3cccc4c3sc3ccccc34)cccc12
InChIInChI=1S/C48H28S5/c1-5-21-37-29(13-1)33-17-9-25-41(45(33)49-37)53(42-26-10-18-34-30-14-2-6-22-38(30)50-46(34)42,43-27-11-19-35-31-15-3-7-23-39(31)51-47(35)43)44-28-12-20-36-32-16-4-8-24-40(32)52-48(36)44/h1-28H
InChIKeyMNWNTIORGJAWHM-UHFFFAOYSA-N
XLogP16.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.09
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dibenzothiophene-4-sulfonamide
CID 150056476
4-triphenylen-2-ylsulfonyldibenzothiophene
CID 163774217
3,26-dithiaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tridecaene
CID 149009096
4-cyclopropyldibenzothiophene
CID 54752889
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[8-[dibenzothiophen-4-yl(diphenyl)-λ4-sulfanyl]dibenzothiophen-2-yl]-diphenyl-λ4-sulfane
CID 130411696
dibenzothiophene;methane
CID 162233710
N-ethyldibenzothiophen-4-amine
CID 166464988
1,3-di(dibenzothiophen-4-yl)-2-[1,3-di(dibenzothiophen-4-yl)imidazolidin-2-ylidene]imidazolidine
CID 118133826
CID 70969362
CID 70969362
di(dibenzothiophen-4-yl)borinic acid
CID 73387203
2-dibenzothiophen-4-ylaniline
CID 58050240

Frequently Asked Questions

What is the IUPAC name of tetra(dibenzothiophen-4-yl)-λ4-sulfane?
The IUPAC name of tetra(dibenzothiophen-4-yl)-λ4-sulfane (CID 134590724) is tetra(dibenzothiophen-4-yl)-λ4-sulfane.
What is the SMILES notation for tetra(dibenzothiophen-4-yl)-λ4-sulfane?
The canonical SMILES for tetra(dibenzothiophen-4-yl)-λ4-sulfane is c1ccc2c(c1)sc1c(S(c3cccc4c3sc3ccccc34)(c3cccc4c3sc3ccccc34)c3cccc4c3sc3ccccc34)cccc12.
What is the InChIKey of tetra(dibenzothiophen-4-yl)-λ4-sulfane?
The InChIKey is MNWNTIORGJAWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28S5/c1-5-21-37-29(13-1)33-17-9-25-41(45(33)49-37)53(42-26-10-18-34-30-14-2-6-22-38(30)50-46(34)42,43-27-11-19-35-31-15-3-7-23-39(31)51-47(35)43)44-28-12-20-36-32-16-4-8-24-40(32)52-48(36)44/h1-28H.
What are the key properties of tetra(dibenzothiophen-4-yl)-λ4-sulfane?
tetra(dibenzothiophen-4-yl)-λ4-sulfane has a molecular weight of 765.09 g/mol, XLogP of 16.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetra(dibenzothiophen-4-yl)-λ4-sulfane is sourced from PubChem (CID 134590724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).