9-pyridin-2-ylsulfonyl-1,8-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]carbazole

C35H22F6N2O2S — CID 71584498

IUPAC9-pyridin-2-ylsulfonyl-1,8-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]carbazole
SMILESO=S(=O)(c1ccccn1)n1c2c(/C=C/c3ccc(C(F)(F)F)cc3)cccc2c2cccc(/C=C/c3ccc(C(F)(F)F)cc3)c21
InChIInChI=1S/C35H22F6N2O2S/c36-34(37,38)27-18-12-23(13-19-27)10-16-25-5-3-7-29-30-8-4-6-26(17-11-24-14-20-28(21-15-24)35(39,40)41)33(30)43(32(25)29)46(44,45)31-9-1-2-22-42-31/h1-22H/b16-10+,17-11+
InChIKeyOVIBEXSWYOKKLK-OTYYAQKOSA-N
MW648.63 g/mol
LogP9.80
Rot. Bonds6

About 9-pyridin-2-ylsulfonyl-1,8-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]carbazole

9-pyridin-2-ylsulfonyl-1,8-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]carbazole (PubChem CID 71584498) has the molecular formula C35H22F6N2O2S and a molecular weight of 648.63 g/mol. Its IUPAC name is 9-pyridin-2-ylsulfonyl-1,8-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]carbazole.

Molecular Properties

Compound Name9-pyridin-2-ylsulfonyl-1,8-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]carbazole
PubChem CID71584498
Molecular FormulaC35H22F6N2O2S
Molecular Weight648.63 g/mol
Exact Mass648.13
IUPAC Name9-pyridin-2-ylsulfonyl-1,8-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]carbazole
SMILESO=S(=O)(c1ccccn1)n1c2c(/C=C/c3ccc(C(F)(F)F)cc3)cccc2c2cccc(/C=C/c3ccc(C(F)(F)F)cc3)c21
InChIInChI=1S/C35H22F6N2O2S/c36-34(37,38)27-18-12-23(13-19-27)10-16-25-5-3-7-29-30-8-4-6-26(17-11-24-14-20-28(21-15-24)35(39,40)41)33(30)43(32(25)29)46(44,45)31-9-1-2-22-42-31/h1-22H/b16-10+,17-11+
InChIKeyOVIBEXSWYOKKLK-OTYYAQKOSA-N
XLogP9.80
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.63
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
N-benzenesulfonylgramine antagonist, 8
CID 11723168
1-Benzenesulfonyl-3-piperidin-4-yl-1H-indole
CID 44388931
1-(2-Fluoro-benzenesulfonyl)-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 44389016
1,1,1-trifluoro-N-((1-(1-(pyridin-2-ylsulfonyl)-1H-indol-2-ylsulfonyl)piperidin-4-yl)methyl)methanesulfonamide
CID 52949381
4-[1-(Benzenesulfonyl)indol-3-yl]benzenesulfonamide
CID 127025296
N'-[(1-benzyl-1H-indol-3-yl)methylene]benzenesulfonohydrazide
CID 6894189
N,N-dimethyl-2-(1-(phenylsulfonyl)-1H-indol-3-yl)ethanamine
CID 9927441
1-(4-Fluoro-benzenesulfonyl)-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 9929294
3-(1-Methyl-1,2,3,6-tetrahydro-4-pyridinyl)-1-phenylsulfonylindole
CID 9950402
1-(4-Methylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10091389
1-(4-Fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10091613

Frequently Asked Questions

What is the IUPAC name of 9-pyridin-2-ylsulfonyl-1,8-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]carbazole?
The IUPAC name of 9-pyridin-2-ylsulfonyl-1,8-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]carbazole (CID 71584498) is 9-pyridin-2-ylsulfonyl-1,8-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]carbazole.
What is the SMILES notation for 9-pyridin-2-ylsulfonyl-1,8-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]carbazole?
The canonical SMILES for 9-pyridin-2-ylsulfonyl-1,8-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]carbazole is O=S(=O)(c1ccccn1)n1c2c(/C=C/c3ccc(C(F)(F)F)cc3)cccc2c2cccc(/C=C/c3ccc(C(F)(F)F)cc3)c21.
What is the InChIKey of 9-pyridin-2-ylsulfonyl-1,8-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]carbazole?
The InChIKey is OVIBEXSWYOKKLK-OTYYAQKOSA-N. The full InChI is InChI=1S/C35H22F6N2O2S/c36-34(37,38)27-18-12-23(13-19-27)10-16-25-5-3-7-29-30-8-4-6-26(17-11-24-14-20-28(21-15-24)35(39,40)41)33(30)43(32(25)29)46(44,45)31-9-1-2-22-42-31/h1-22H/b16-10+,17-11+.
What are the key properties of 9-pyridin-2-ylsulfonyl-1,8-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]carbazole?
9-pyridin-2-ylsulfonyl-1,8-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]carbazole has a molecular weight of 648.63 g/mol, XLogP of 9.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyridin-2-ylsulfonyl-1,8-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]carbazole is sourced from PubChem (CID 71584498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).