[4-[3,5-bis[4-(triphenyl-λ4-sulfanyl)phenyl]phenyl]phenyl]-triphenyl-λ4-sulfane

C78H60S3 — CID 167154831

IUPAC[4-[3,5-bis[4-(triphenyl-λ4-sulfanyl)phenyl]phenyl]phenyl]-triphenyl-λ4-sulfane
SMILESc1ccc(S(c2ccccc2)(c2ccccc2)c2ccc(-c3cc(-c4ccc(S(c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc(-c4ccc(S(c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C78H60S3/c1-10-28-67(29-11-1)79(68-30-12-2-13-31-68,69-32-14-3-15-33-69)76-52-46-61(47-53-76)64-58-65(62-48-54-77(55-49-62)80(70-34-16-4-17-35-70,71-36-18-5-19-37-71)72-38-20-6-21-39-72)60-66(59-64)63-50-56-78(57-51-63)81(73-40-22-7-23-41-73,74-42-24-8-25-43-74)75-44-26-9-27-45-75/h1-60H
InChIKeyZFZKRQPABJBTTH-UHFFFAOYSA-N
MW1093.54 g/mol
LogP22.71
Rot. Bonds15

About [4-[3,5-bis[4-(triphenyl-λ4-sulfanyl)phenyl]phenyl]phenyl]-triphenyl-λ4-sulfane

[4-[3,5-bis[4-(triphenyl-λ4-sulfanyl)phenyl]phenyl]phenyl]-triphenyl-λ4-sulfane (PubChem CID 167154831) has the molecular formula C78H60S3 and a molecular weight of 1093.54 g/mol. Its IUPAC name is [4-[3,5-bis[4-(triphenyl-λ4-sulfanyl)phenyl]phenyl]phenyl]-triphenyl-λ4-sulfane.

Molecular Properties

Compound Name[4-[3,5-bis[4-(triphenyl-λ4-sulfanyl)phenyl]phenyl]phenyl]-triphenyl-λ4-sulfane
PubChem CID167154831
Molecular FormulaC78H60S3
Molecular Weight1093.54 g/mol
Exact Mass1092.39
IUPAC Name[4-[3,5-bis[4-(triphenyl-λ4-sulfanyl)phenyl]phenyl]phenyl]-triphenyl-λ4-sulfane
SMILESc1ccc(S(c2ccccc2)(c2ccccc2)c2ccc(-c3cc(-c4ccc(S(c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc(-c4ccc(S(c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C78H60S3/c1-10-28-67(29-11-1)79(68-30-12-2-13-31-68,69-32-14-3-15-33-69)76-52-46-61(47-53-76)64-58-65(62-48-54-77(55-49-62)80(70-34-16-4-17-35-70,71-36-18-5-19-37-71)72-38-20-6-21-39-72)60-66(59-64)63-50-56-78(57-51-63)81(73-40-22-7-23-41-73,74-42-24-8-25-43-74)75-44-26-9-27-45-75/h1-60H
InChIKeyZFZKRQPABJBTTH-UHFFFAOYSA-N
XLogP22.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.54
LogP ≤ 522.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

triphenyl-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane
CID 170245167
tris(4-methylphenyl)-phenyl-λ4-sulfane
CID 70223944
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1,3,5-triphenylbenzene
CID 158331433
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
(4-fluorophenyl)-triphenyl-λ4-sulfane
CID 121305957
tris(4-fluorophenyl)-phenyl-λ4-sulfane
CID 118643814
1,3,5-triphenylbenzene;trihydrochloride
CID 172862781
azanylidyne-(3,5-diphenylphenyl)-diphenyl-λ6-sulfane
CID 102435169
azanylidyne-diphenyl-(4-phenylphenyl)-λ6-sulfane
CID 102435167

Frequently Asked Questions

What is the IUPAC name of [4-[3,5-bis[4-(triphenyl-λ4-sulfanyl)phenyl]phenyl]phenyl]-triphenyl-λ4-sulfane?
The IUPAC name of [4-[3,5-bis[4-(triphenyl-λ4-sulfanyl)phenyl]phenyl]phenyl]-triphenyl-λ4-sulfane (CID 167154831) is [4-[3,5-bis[4-(triphenyl-λ4-sulfanyl)phenyl]phenyl]phenyl]-triphenyl-λ4-sulfane.
What is the SMILES notation for [4-[3,5-bis[4-(triphenyl-λ4-sulfanyl)phenyl]phenyl]phenyl]-triphenyl-λ4-sulfane?
The canonical SMILES for [4-[3,5-bis[4-(triphenyl-λ4-sulfanyl)phenyl]phenyl]phenyl]-triphenyl-λ4-sulfane is c1ccc(S(c2ccccc2)(c2ccccc2)c2ccc(-c3cc(-c4ccc(S(c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc(-c4ccc(S(c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1.
What is the InChIKey of [4-[3,5-bis[4-(triphenyl-λ4-sulfanyl)phenyl]phenyl]phenyl]-triphenyl-λ4-sulfane?
The InChIKey is ZFZKRQPABJBTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H60S3/c1-10-28-67(29-11-1)79(68-30-12-2-13-31-68,69-32-14-3-15-33-69)76-52-46-61(47-53-76)64-58-65(62-48-54-77(55-49-62)80(70-34-16-4-17-35-70,71-36-18-5-19-37-71)72-38-20-6-21-39-72)60-66(59-64)63-50-56-78(57-51-63)81(73-40-22-7-23-41-73,74-42-24-8-25-43-74)75-44-26-9-27-45-75/h1-60H.
What are the key properties of [4-[3,5-bis[4-(triphenyl-λ4-sulfanyl)phenyl]phenyl]phenyl]-triphenyl-λ4-sulfane?
[4-[3,5-bis[4-(triphenyl-λ4-sulfanyl)phenyl]phenyl]phenyl]-triphenyl-λ4-sulfane has a molecular weight of 1093.54 g/mol, XLogP of 22.71, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,5-bis[4-(triphenyl-λ4-sulfanyl)phenyl]phenyl]phenyl]-triphenyl-λ4-sulfane is sourced from PubChem (CID 167154831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).