3-[2,3-diphenyl-6-(2-phenylphenyl)phenyl]sulfonyl-1,2-diphenyl-4-(2-phenylphenyl)benzene

C60H42O2S — CID 166134272

IUPAC3-[2,3-diphenyl-6-(2-phenylphenyl)phenyl]sulfonyl-1,2-diphenyl-4-(2-phenylphenyl)benzene
SMILESO=S(=O)(c1c(-c2ccccc2-c2ccccc2)ccc(-c2ccccc2)c1-c1ccccc1)c1c(-c2ccccc2-c2ccccc2)ccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C60H42O2S/c61-63(62,59-55(53-37-21-19-35-49(53)43-23-7-1-8-24-43)41-39-51(45-27-11-3-12-28-45)57(59)47-31-15-5-16-32-47)60-56(54-38-22-20-36-50(54)44-25-9-2-10-26-44)42-40-52(46-29-13-4-14-30-46)58(60)48-33-17-6-18-34-48/h1-42H
InChIKeyZLLLCZMWUXBXDQ-UHFFFAOYSA-N
MW827.06 g/mol
LogP15.86
Rot. Bonds10

About 3-[2,3-diphenyl-6-(2-phenylphenyl)phenyl]sulfonyl-1,2-diphenyl-4-(2-phenylphenyl)benzene

3-[2,3-diphenyl-6-(2-phenylphenyl)phenyl]sulfonyl-1,2-diphenyl-4-(2-phenylphenyl)benzene (PubChem CID 166134272) has the molecular formula C60H42O2S and a molecular weight of 827.06 g/mol. Its IUPAC name is 3-[2,3-diphenyl-6-(2-phenylphenyl)phenyl]sulfonyl-1,2-diphenyl-4-(2-phenylphenyl)benzene.

Molecular Properties

Compound Name3-[2,3-diphenyl-6-(2-phenylphenyl)phenyl]sulfonyl-1,2-diphenyl-4-(2-phenylphenyl)benzene
PubChem CID166134272
Molecular FormulaC60H42O2S
Molecular Weight827.06 g/mol
Exact Mass826.29
IUPAC Name3-[2,3-diphenyl-6-(2-phenylphenyl)phenyl]sulfonyl-1,2-diphenyl-4-(2-phenylphenyl)benzene
SMILESO=S(=O)(c1c(-c2ccccc2-c2ccccc2)ccc(-c2ccccc2)c1-c1ccccc1)c1c(-c2ccccc2-c2ccccc2)ccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C60H42O2S/c61-63(62,59-55(53-37-21-19-35-49(53)43-23-7-1-8-24-43)41-39-51(45-27-11-3-12-28-45)57(59)47-31-15-5-16-32-47)60-56(54-38-22-20-36-50(54)44-25-9-2-10-26-44)42-40-52(46-29-13-4-14-30-46)58(60)48-33-17-6-18-34-48/h1-42H
InChIKeyZLLLCZMWUXBXDQ-UHFFFAOYSA-N
XLogP15.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.06
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864
CID 69011285
CID 69011285
1,2-di(azulen-1-yl)azulene
CID 91306184
1,8-diphenylanthracene-9,10-dione
CID 12637584
1,2,3,4-tetraphenyltetraphenylene
CID 12596759
4-[3-[4-[2,3-diphenyl-6-(4-sulfophenyl)phenyl]phenyl]-4-phenylphenyl]benzenesulfonic acid
CID 168764295
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
lithium;hydride;1-methyl-2,3-diphenylbenzene
CID 175388205
1-methyl-4,8-diphenylazulene
CID 86056773
[2-(2-phenylphenyl)phenyl] methanesulfonate
CID 174491818
2-hydroxy-1-phenylfluoren-9-one
CID 162516784

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-diphenyl-6-(2-phenylphenyl)phenyl]sulfonyl-1,2-diphenyl-4-(2-phenylphenyl)benzene?
The IUPAC name of 3-[2,3-diphenyl-6-(2-phenylphenyl)phenyl]sulfonyl-1,2-diphenyl-4-(2-phenylphenyl)benzene (CID 166134272) is 3-[2,3-diphenyl-6-(2-phenylphenyl)phenyl]sulfonyl-1,2-diphenyl-4-(2-phenylphenyl)benzene.
What is the SMILES notation for 3-[2,3-diphenyl-6-(2-phenylphenyl)phenyl]sulfonyl-1,2-diphenyl-4-(2-phenylphenyl)benzene?
The canonical SMILES for 3-[2,3-diphenyl-6-(2-phenylphenyl)phenyl]sulfonyl-1,2-diphenyl-4-(2-phenylphenyl)benzene is O=S(=O)(c1c(-c2ccccc2-c2ccccc2)ccc(-c2ccccc2)c1-c1ccccc1)c1c(-c2ccccc2-c2ccccc2)ccc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 3-[2,3-diphenyl-6-(2-phenylphenyl)phenyl]sulfonyl-1,2-diphenyl-4-(2-phenylphenyl)benzene?
The InChIKey is ZLLLCZMWUXBXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42O2S/c61-63(62,59-55(53-37-21-19-35-49(53)43-23-7-1-8-24-43)41-39-51(45-27-11-3-12-28-45)57(59)47-31-15-5-16-32-47)60-56(54-38-22-20-36-50(54)44-25-9-2-10-26-44)42-40-52(46-29-13-4-14-30-46)58(60)48-33-17-6-18-34-48/h1-42H.
What are the key properties of 3-[2,3-diphenyl-6-(2-phenylphenyl)phenyl]sulfonyl-1,2-diphenyl-4-(2-phenylphenyl)benzene?
3-[2,3-diphenyl-6-(2-phenylphenyl)phenyl]sulfonyl-1,2-diphenyl-4-(2-phenylphenyl)benzene has a molecular weight of 827.06 g/mol, XLogP of 15.86, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-diphenyl-6-(2-phenylphenyl)phenyl]sulfonyl-1,2-diphenyl-4-(2-phenylphenyl)benzene is sourced from PubChem (CID 166134272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).