2-(difluoromethylsulfonyl)-1,4-bis[2-(4-phenylphenyl)ethenyl]benzene

C35H26F2O2S — CID 5175611

IUPAC2-(difluoromethylsulfonyl)-1,4-bis[2-(4-phenylphenyl)ethenyl]benzene
SMILESO=S(=O)(c1cc(C=Cc2ccc(-c3ccccc3)cc2)ccc1C=Cc1ccc(-c2ccccc2)cc1)C(F)F
InChIInChI=1S/C35H26F2O2S/c36-35(37)40(38,39)34-25-28(12-11-26-13-19-31(20-14-26)29-7-3-1-4-8-29)18-24-33(34)23-17-27-15-21-32(22-16-27)30-9-5-2-6-10-30/h1-25,35H
InChIKeyIPBIOHSNFIMWGU-UHFFFAOYSA-N
MW548.65 g/mol
LogP9.36
Rot. Bonds8

About 2-(difluoromethylsulfonyl)-1,4-bis[2-(4-phenylphenyl)ethenyl]benzene

2-(difluoromethylsulfonyl)-1,4-bis[2-(4-phenylphenyl)ethenyl]benzene (PubChem CID 5175611) has the molecular formula C35H26F2O2S and a molecular weight of 548.65 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-1,4-bis[2-(4-phenylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-1,4-bis[2-(4-phenylphenyl)ethenyl]benzene
PubChem CID5175611
Molecular FormulaC35H26F2O2S
Molecular Weight548.65 g/mol
Exact Mass548.16
IUPAC Name2-(difluoromethylsulfonyl)-1,4-bis[2-(4-phenylphenyl)ethenyl]benzene
SMILESO=S(=O)(c1cc(C=Cc2ccc(-c3ccccc3)cc2)ccc1C=Cc1ccc(-c2ccccc2)cc1)C(F)F
InChIInChI=1S/C35H26F2O2S/c36-35(37)40(38,39)34-25-28(12-11-26-13-19-31(20-14-26)29-7-3-1-4-8-29)18-24-33(34)23-17-27-15-21-32(22-16-27)30-9-5-2-6-10-30/h1-25,35H
InChIKeyIPBIOHSNFIMWGU-UHFFFAOYSA-N
XLogP9.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-(difluoromethylsulfonyl)benzene
CID 6148659
2-[2-[4-[4-(2-phenylethenyl)phenyl]phenyl]ethenyl]benzenesulfonic acid
CID 58971886
2-(2-phenylethenyl)-5-[4-(2-phenylethenyl)-3-sulfophenyl]benzenesulfonic acid
CID 54472586
4-[2-[2-[2-(4-formylphenyl)ethenyl]-4-phenylphenyl]ethenyl]benzaldehyde
CID 86211180
disodium bis(5-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]phenyl]benzenesulfonate)
CID 173032684
5-(carbamothioylamino)-2-[2-(4-phenylphenyl)ethenyl]benzenesulfonic acid
CID 169358858
2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene
CID 71373696
2-[(E)-2-(4-phenylphenyl)ethenyl]benzoic acid
CID 46868614
5-[4-[(E)-2-(4-boronophenyl)ethenyl]phenyl]-2-[(E)-2-[4-[4-[(E)-2-(4-boronophenyl)ethenyl]phenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 102148843
2-(4-phenylphenyl)-6-[2-[6-(4-phenylphenyl)naphthalen-2-yl]ethenyl]naphthalene
CID 72565666
1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene
CID 54609084
2-[(E)-2-phenylethenyl]azulene
CID 12674002

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-1,4-bis[2-(4-phenylphenyl)ethenyl]benzene?
The IUPAC name of 2-(difluoromethylsulfonyl)-1,4-bis[2-(4-phenylphenyl)ethenyl]benzene (CID 5175611) is 2-(difluoromethylsulfonyl)-1,4-bis[2-(4-phenylphenyl)ethenyl]benzene.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-1,4-bis[2-(4-phenylphenyl)ethenyl]benzene?
The canonical SMILES for 2-(difluoromethylsulfonyl)-1,4-bis[2-(4-phenylphenyl)ethenyl]benzene is O=S(=O)(c1cc(C=Cc2ccc(-c3ccccc3)cc2)ccc1C=Cc1ccc(-c2ccccc2)cc1)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)-1,4-bis[2-(4-phenylphenyl)ethenyl]benzene?
The InChIKey is IPBIOHSNFIMWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26F2O2S/c36-35(37)40(38,39)34-25-28(12-11-26-13-19-31(20-14-26)29-7-3-1-4-8-29)18-24-33(34)23-17-27-15-21-32(22-16-27)30-9-5-2-6-10-30/h1-25,35H.
What are the key properties of 2-(difluoromethylsulfonyl)-1,4-bis[2-(4-phenylphenyl)ethenyl]benzene?
2-(difluoromethylsulfonyl)-1,4-bis[2-(4-phenylphenyl)ethenyl]benzene has a molecular weight of 548.65 g/mol, XLogP of 9.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-1,4-bis[2-(4-phenylphenyl)ethenyl]benzene is sourced from PubChem (CID 5175611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).