[4-[1,2-bis(4-methylphenyl)-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolo[3,2-b]pyrrol-5-yl]phenyl]-pentafluoro-λ6-sulfane

C32H24F10N2S2 — CID 118346325

IUPAC[4-[1,2-bis(4-methylphenyl)-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolo[3,2-b]pyrrol-5-yl]phenyl]-pentafluoro-λ6-sulfane
SMILESCc1ccc(-c2cc3c(cc(-c4ccc(S(F)(F)(F)(F)F)cc4)n3-c3ccc(S(F)(F)(F)(F)F)cc3)n2-c2ccc(C)cc2)cc1
InChIInChI=1S/C32H24F10N2S2/c1-21-3-7-23(8-4-21)29-19-32-31(43(29)25-11-5-22(2)6-12-25)20-30(24-9-15-27(16-10-24)45(33,34,35,36)37)44(32)26-13-17-28(18-14-26)46(38,39,40,41)42/h3-20H,1-2H3
InChIKeyRFYYYGFXEMLJCV-UHFFFAOYSA-N
MW690.67 g/mol
LogP13.69
Rot. Bonds6

About [4-[1,2-bis(4-methylphenyl)-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolo[3,2-b]pyrrol-5-yl]phenyl]-pentafluoro-λ6-sulfane

[4-[1,2-bis(4-methylphenyl)-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolo[3,2-b]pyrrol-5-yl]phenyl]-pentafluoro-λ6-sulfane (PubChem CID 118346325) has the molecular formula C32H24F10N2S2 and a molecular weight of 690.67 g/mol. Its IUPAC name is [4-[1,2-bis(4-methylphenyl)-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolo[3,2-b]pyrrol-5-yl]phenyl]-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name[4-[1,2-bis(4-methylphenyl)-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolo[3,2-b]pyrrol-5-yl]phenyl]-pentafluoro-λ6-sulfane
PubChem CID118346325
Molecular FormulaC32H24F10N2S2
Molecular Weight690.67 g/mol
Exact Mass690.12
IUPAC Name[4-[1,2-bis(4-methylphenyl)-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolo[3,2-b]pyrrol-5-yl]phenyl]-pentafluoro-λ6-sulfane
SMILESCc1ccc(-c2cc3c(cc(-c4ccc(S(F)(F)(F)(F)F)cc4)n3-c3ccc(S(F)(F)(F)(F)F)cc3)n2-c2ccc(C)cc2)cc1
InChIInChI=1S/C32H24F10N2S2/c1-21-3-7-23(8-4-21)29-19-32-31(43(29)25-11-5-22(2)6-12-25)20-30(24-9-15-27(16-10-24)45(33,34,35,36)37)44(32)26-13-17-28(18-14-26)46(38,39,40,41)42/h3-20H,1-2H3
InChIKeyRFYYYGFXEMLJCV-UHFFFAOYSA-N
XLogP13.69
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.67
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(4-bromophenyl)-2,5-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole
CID 90139024
1,2-bis(4-methylphenyl)indole
CID 151814608
4-[4-(4-chlorophenyl)-5-(4-cyanophenyl)-1-(4-methylphenyl)pyrrolo[3,2-b]pyrrol-2-yl]benzonitrile
CID 134566035
4-[2,5-bis(4-methylphenyl)-4-(4-nitrophenyl)pyrrolo[3,2-b]pyrrol-1-yl]aniline
CID 134566023
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
[4-[1-(4-methylphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-5-yl]phenyl]phosphane
CID 71016750
3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024
2,5-bis(1-benzofuran-2-yl)-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole
CID 90119948
3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488392
2-(4-methylphenyl)-1,3-diphenylisoindole
CID 66688273
1-(4-methylphenyl)-2,5-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]pyrrole
CID 72640522
9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole
CID 140923989

Frequently Asked Questions

What is the IUPAC name of [4-[1,2-bis(4-methylphenyl)-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolo[3,2-b]pyrrol-5-yl]phenyl]-pentafluoro-λ6-sulfane?
The IUPAC name of [4-[1,2-bis(4-methylphenyl)-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolo[3,2-b]pyrrol-5-yl]phenyl]-pentafluoro-λ6-sulfane (CID 118346325) is [4-[1,2-bis(4-methylphenyl)-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolo[3,2-b]pyrrol-5-yl]phenyl]-pentafluoro-λ6-sulfane.
What is the SMILES notation for [4-[1,2-bis(4-methylphenyl)-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolo[3,2-b]pyrrol-5-yl]phenyl]-pentafluoro-λ6-sulfane?
The canonical SMILES for [4-[1,2-bis(4-methylphenyl)-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolo[3,2-b]pyrrol-5-yl]phenyl]-pentafluoro-λ6-sulfane is Cc1ccc(-c2cc3c(cc(-c4ccc(S(F)(F)(F)(F)F)cc4)n3-c3ccc(S(F)(F)(F)(F)F)cc3)n2-c2ccc(C)cc2)cc1.
What is the InChIKey of [4-[1,2-bis(4-methylphenyl)-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolo[3,2-b]pyrrol-5-yl]phenyl]-pentafluoro-λ6-sulfane?
The InChIKey is RFYYYGFXEMLJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F10N2S2/c1-21-3-7-23(8-4-21)29-19-32-31(43(29)25-11-5-22(2)6-12-25)20-30(24-9-15-27(16-10-24)45(33,34,35,36)37)44(32)26-13-17-28(18-14-26)46(38,39,40,41)42/h3-20H,1-2H3.
What are the key properties of [4-[1,2-bis(4-methylphenyl)-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolo[3,2-b]pyrrol-5-yl]phenyl]-pentafluoro-λ6-sulfane?
[4-[1,2-bis(4-methylphenyl)-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolo[3,2-b]pyrrol-5-yl]phenyl]-pentafluoro-λ6-sulfane has a molecular weight of 690.67 g/mol, XLogP of 13.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1,2-bis(4-methylphenyl)-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolo[3,2-b]pyrrol-5-yl]phenyl]-pentafluoro-λ6-sulfane is sourced from PubChem (CID 118346325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).