6-[3,6-bis(2,3,4,5,6-pentafluorophenyl)carbazol-9-yl]-1-[3-(2,3,4,5,6-pentafluorophenyl)-6-(2,3,5,6-tetrafluoro-4-methylphenyl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine

C60H20F19N3S — CID 129302953

IUPAC6-[3,6-bis(2,3,4,5,6-pentafluorophenyl)carbazol-9-yl]-1-[3-(2,3,4,5,6-pentafluorophenyl)-6-(2,3,5,6-tetrafluoro-4-methylphenyl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESCc1c(F)c(F)c(-c2ccc3c(c2)c2cc(-c4c(F)c(F)c(F)c(F)c4F)ccc2n3-c2nccc3c2sc2ccc(-n4c5ccc(-c6c(F)c(F)c(F)c(F)c6F)cc5c5cc(-c6c(F)c(F)c(F)c(F)c6F)ccc54)cc23)c(F)c1F
InChIInChI=1S/C60H20F19N3S/c1-19-40(61)42(63)36(43(64)41(19)62)20-4-9-33-28(16-20)29-17-23(39-48(69)54(75)58(79)55(76)49(39)70)5-10-34(29)82(33)60-59-25(12-13-80-60)30-18-24(6-11-35(30)83-59)81-31-7-2-21(37-44(65)50(71)56(77)51(72)45(37)66)14-26(31)27-15-22(3-8-32(27)81)38-46(67)52(73)57(78)53(74)47(38)68/h2-18H,1H3
InChIKeyBMCRVBLOURQXHB-UHFFFAOYSA-N
MW1175.87 g/mol
LogP19.26
Rot. Bonds6

About 6-[3,6-bis(2,3,4,5,6-pentafluorophenyl)carbazol-9-yl]-1-[3-(2,3,4,5,6-pentafluorophenyl)-6-(2,3,5,6-tetrafluoro-4-methylphenyl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine

6-[3,6-bis(2,3,4,5,6-pentafluorophenyl)carbazol-9-yl]-1-[3-(2,3,4,5,6-pentafluorophenyl)-6-(2,3,5,6-tetrafluoro-4-methylphenyl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine (PubChem CID 129302953) has the molecular formula C60H20F19N3S and a molecular weight of 1175.87 g/mol. Its IUPAC name is 6-[3,6-bis(2,3,4,5,6-pentafluorophenyl)carbazol-9-yl]-1-[3-(2,3,4,5,6-pentafluorophenyl)-6-(2,3,5,6-tetrafluoro-4-methylphenyl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name6-[3,6-bis(2,3,4,5,6-pentafluorophenyl)carbazol-9-yl]-1-[3-(2,3,4,5,6-pentafluorophenyl)-6-(2,3,5,6-tetrafluoro-4-methylphenyl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
PubChem CID129302953
Molecular FormulaC60H20F19N3S
Molecular Weight1175.87 g/mol
Exact Mass1175.11
IUPAC Name6-[3,6-bis(2,3,4,5,6-pentafluorophenyl)carbazol-9-yl]-1-[3-(2,3,4,5,6-pentafluorophenyl)-6-(2,3,5,6-tetrafluoro-4-methylphenyl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESCc1c(F)c(F)c(-c2ccc3c(c2)c2cc(-c4c(F)c(F)c(F)c(F)c4F)ccc2n3-c2nccc3c2sc2ccc(-n4c5ccc(-c6c(F)c(F)c(F)c(F)c6F)cc5c5cc(-c6c(F)c(F)c(F)c(F)c6F)ccc54)cc23)c(F)c1F
InChIInChI=1S/C60H20F19N3S/c1-19-40(61)42(63)36(43(64)41(19)62)20-4-9-33-28(16-20)29-17-23(39-48(69)54(75)58(79)55(76)49(39)70)5-10-34(29)82(33)60-59-25(12-13-80-60)30-18-24(6-11-35(30)83-59)81-31-7-2-21(37-44(65)50(71)56(77)51(72)45(37)66)14-26(31)27-15-22(3-8-32(27)81)38-46(67)52(73)57(78)53(74)47(38)68/h2-18H,1H3
InChIKeyBMCRVBLOURQXHB-UHFFFAOYSA-N
XLogP19.26
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001175.87
LogP ≤ 519.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 6-[3,6-bis(2,3,4,5,6-pentafluorophenyl)carbazol-9-yl]-1-[3-(2,3,4,5,6-pentafluorophenyl)-6-(2,3,5,6-tetrafluoro-4-methylphenyl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine with MolForge

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Related Compounds

1-N,6-N-di(dibenzothiophen-1-yl)-6-N-(2-fluorophenyl)-1-N-pyridin-2-ylpyrene-1,6-diamine
CID 89798904
6-N-dibenzothiophen-4-yl-1-N-(9,9-dimethylfluoren-4-yl)-6-N-(2-fluorophenyl)-1-N-pyridin-2-ylpyrene-1,6-diamine
CID 89798906
N-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195053
N-[4-[9-(6-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195054
N-[4-[5-(3-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195086
N-[4-[5-(5-fluoro-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195092
8-[4-(3,5-Difluorophenyl)phenyl]-22-pyridin-2-yl-8,22-diazaheptacyclo[13.6.1.04,20.07,19.09,18.012,17.016,21]docosa-1(21),2,4(20),5,7(19),9(18),10,12(17),13,15-decaene
CID 90249771
N-(2-fluorophenyl)-N-[7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzothiophen-2-yl]pyridin-2-amine
CID 90363919
N-(4-fluorophenyl)-N-[4-(4-indol-1-ylphenyl)phenyl]dibenzothiophen-2-amine
CID 117788064
3-[9-[6-(8-Fluorodibenzothiophen-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole
CID 121276719
3-[9-[4-(8-Fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276722
3-[9-[6-(8-Fluorodibenzothiophen-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
CID 121276725

Frequently Asked Questions

What is the IUPAC name of 6-[3,6-bis(2,3,4,5,6-pentafluorophenyl)carbazol-9-yl]-1-[3-(2,3,4,5,6-pentafluorophenyl)-6-(2,3,5,6-tetrafluoro-4-methylphenyl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 6-[3,6-bis(2,3,4,5,6-pentafluorophenyl)carbazol-9-yl]-1-[3-(2,3,4,5,6-pentafluorophenyl)-6-(2,3,5,6-tetrafluoro-4-methylphenyl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine (CID 129302953) is 6-[3,6-bis(2,3,4,5,6-pentafluorophenyl)carbazol-9-yl]-1-[3-(2,3,4,5,6-pentafluorophenyl)-6-(2,3,5,6-tetrafluoro-4-methylphenyl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 6-[3,6-bis(2,3,4,5,6-pentafluorophenyl)carbazol-9-yl]-1-[3-(2,3,4,5,6-pentafluorophenyl)-6-(2,3,5,6-tetrafluoro-4-methylphenyl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 6-[3,6-bis(2,3,4,5,6-pentafluorophenyl)carbazol-9-yl]-1-[3-(2,3,4,5,6-pentafluorophenyl)-6-(2,3,5,6-tetrafluoro-4-methylphenyl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine is Cc1c(F)c(F)c(-c2ccc3c(c2)c2cc(-c4c(F)c(F)c(F)c(F)c4F)ccc2n3-c2nccc3c2sc2ccc(-n4c5ccc(-c6c(F)c(F)c(F)c(F)c6F)cc5c5cc(-c6c(F)c(F)c(F)c(F)c6F)ccc54)cc23)c(F)c1F.
What is the InChIKey of 6-[3,6-bis(2,3,4,5,6-pentafluorophenyl)carbazol-9-yl]-1-[3-(2,3,4,5,6-pentafluorophenyl)-6-(2,3,5,6-tetrafluoro-4-methylphenyl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is BMCRVBLOURQXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H20F19N3S/c1-19-40(61)42(63)36(43(64)41(19)62)20-4-9-33-28(16-20)29-17-23(39-48(69)54(75)58(79)55(76)49(39)70)5-10-34(29)82(33)60-59-25(12-13-80-60)30-18-24(6-11-35(30)83-59)81-31-7-2-21(37-44(65)50(71)56(77)51(72)45(37)66)14-26(31)27-15-22(3-8-32(27)81)38-46(67)52(73)57(78)53(74)47(38)68/h2-18H,1H3.
What are the key properties of 6-[3,6-bis(2,3,4,5,6-pentafluorophenyl)carbazol-9-yl]-1-[3-(2,3,4,5,6-pentafluorophenyl)-6-(2,3,5,6-tetrafluoro-4-methylphenyl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?
6-[3,6-bis(2,3,4,5,6-pentafluorophenyl)carbazol-9-yl]-1-[3-(2,3,4,5,6-pentafluorophenyl)-6-(2,3,5,6-tetrafluoro-4-methylphenyl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 1175.87 g/mol, XLogP of 19.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,6-bis(2,3,4,5,6-pentafluorophenyl)carbazol-9-yl]-1-[3-(2,3,4,5,6-pentafluorophenyl)-6-(2,3,5,6-tetrafluoro-4-methylphenyl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 129302953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).