[4-[2,5-bis(4-bromophenyl)pyrrol-1-yl]phenyl]-pentafluoro-λ6-sulfane

C22H14Br2F5NS — CID 90861020

IUPAC[4-[2,5-bis(4-bromophenyl)pyrrol-1-yl]phenyl]-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc(-n2c(-c3ccc(Br)cc3)ccc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C22H14Br2F5NS/c23-17-5-1-15(2-6-17)21-13-14-22(16-3-7-18(24)8-4-16)30(21)19-9-11-20(12-10-19)31(25,26,27,28)29/h1-14H
InChIKeyWEUHXCPGUOCRRA-UHFFFAOYSA-N
MW579.23 g/mol
LogP9.99
Rot. Bonds4

About [4-[2,5-bis(4-bromophenyl)pyrrol-1-yl]phenyl]-pentafluoro-λ6-sulfane

[4-[2,5-bis(4-bromophenyl)pyrrol-1-yl]phenyl]-pentafluoro-λ6-sulfane (PubChem CID 90861020) has the molecular formula C22H14Br2F5NS and a molecular weight of 579.23 g/mol. Its IUPAC name is [4-[2,5-bis(4-bromophenyl)pyrrol-1-yl]phenyl]-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name[4-[2,5-bis(4-bromophenyl)pyrrol-1-yl]phenyl]-pentafluoro-λ6-sulfane
PubChem CID90861020
Molecular FormulaC22H14Br2F5NS
Molecular Weight579.23 g/mol
Exact Mass576.91
IUPAC Name[4-[2,5-bis(4-bromophenyl)pyrrol-1-yl]phenyl]-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc(-n2c(-c3ccc(Br)cc3)ccc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C22H14Br2F5NS/c23-17-5-1-15(2-6-17)21-13-14-22(16-3-7-18(24)8-4-16)30(21)19-9-11-20(12-10-19)31(25,26,27,28)29/h1-14H
InChIKeyWEUHXCPGUOCRRA-UHFFFAOYSA-N
XLogP9.99
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.23
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyrrole, 1-(p-bromophenyl)-2-methyl-5-phenyl-
CID 122758
2-(4-Bromophenyl)-4-(4-fluorophenyl)-5-methyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole
CID 164674531
1-(2-Bromophenyl)-2-methyl-5-phenylpyrrole
CID 4763699
1-(4-Bromophenyl)-5-methyl-3-phenyl-2-phenylsulfanylpyrrole
CID 102075555
2,5-bis(4-bromophenyl)-1-(4-(trifluoromethylsulfonyl)phenyl)-1H-pyrrole
CID 67236489
4-[5-(4-Bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]benzenesulfonamide
CID 135368256
3-[5-(4-Bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]aniline
CID 135368279
4-[5-(4-Bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]aniline
CID 142461434
S-[4-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]thiohydroxylamine
CID 142461505
4-[5-(4-Bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]benzenesulfinamide
CID 147823934
2-(4-Bromophenyl)-5-phenyl-1-[2-(trifluoromethyl)phenyl]pyrrole
CID 174990498
1-(4-Bromophenyl)-2,3,5-triphenylpyrrole
CID 11851227

Frequently Asked Questions

What is the IUPAC name of [4-[2,5-bis(4-bromophenyl)pyrrol-1-yl]phenyl]-pentafluoro-λ6-sulfane?
The IUPAC name of [4-[2,5-bis(4-bromophenyl)pyrrol-1-yl]phenyl]-pentafluoro-λ6-sulfane (CID 90861020) is [4-[2,5-bis(4-bromophenyl)pyrrol-1-yl]phenyl]-pentafluoro-λ6-sulfane.
What is the SMILES notation for [4-[2,5-bis(4-bromophenyl)pyrrol-1-yl]phenyl]-pentafluoro-λ6-sulfane?
The canonical SMILES for [4-[2,5-bis(4-bromophenyl)pyrrol-1-yl]phenyl]-pentafluoro-λ6-sulfane is FS(F)(F)(F)(F)c1ccc(-n2c(-c3ccc(Br)cc3)ccc2-c2ccc(Br)cc2)cc1.
What is the InChIKey of [4-[2,5-bis(4-bromophenyl)pyrrol-1-yl]phenyl]-pentafluoro-λ6-sulfane?
The InChIKey is WEUHXCPGUOCRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Br2F5NS/c23-17-5-1-15(2-6-17)21-13-14-22(16-3-7-18(24)8-4-16)30(21)19-9-11-20(12-10-19)31(25,26,27,28)29/h1-14H.
What are the key properties of [4-[2,5-bis(4-bromophenyl)pyrrol-1-yl]phenyl]-pentafluoro-λ6-sulfane?
[4-[2,5-bis(4-bromophenyl)pyrrol-1-yl]phenyl]-pentafluoro-λ6-sulfane has a molecular weight of 579.23 g/mol, XLogP of 9.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,5-bis(4-bromophenyl)pyrrol-1-yl]phenyl]-pentafluoro-λ6-sulfane is sourced from PubChem (CID 90861020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).