3-(2-carbazol-9-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-(3-carbazol-9-ylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-(2-carbazol-9-ylpropan-2-yl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-[(9-ethylcarbazol-3-yl)methyl]-3-isocyano-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[(9-ethylcarbazol-3-yl)methyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[3-(9-ethylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;octakis(iridium);3-[3-(9-pyridin-2-ylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide

C257H170F6Ir8N26-8 — CID 158460987

IUPAC3-(2-carbazol-9-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-(3-carbazol-9-ylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-(2-carbazol-9-ylpropan-2-yl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-[(9-ethylcarbazol-3-yl)methyl]-3-isocyano-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[(9-ethylcarbazol-3-yl)methyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[3-(9-ethylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;octakis(iridium);3-[3-(9-pyridin-2-ylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide
SMILESCCn1c2ccccc2c2cc(-c3cccc(-c4c[c-]c5c(c4)c4ccccc4c4ccnn54)c3)ccc21.CCn1c2ccccc2c2cc(Cc3c[c-]c4c(c3)c3ccccc3c3ccnn43)ccc21.Cc1cnn2c3[c-]cc(Cn4c5ccccc5c5ccccc54)cc3c3ccccc3c12.Cc1cnn2c3[c-]cccc3c3cc(C(C)(C)n4c5ccccc5c5ccccc54)ccc3c12.FC(F)(F)C(c1cnn2c3[c-]cccc3c3ccccc3c12)(n1c2ccccc2c2ccccc21)C(F)(F)F.[C-]#[N+]c1cnn2c3[c-]cccc3c3cc(Cc4ccc5c(c4)c4ccccc4n5CC)ccc3c12.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2c3ccccc3c3c(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccn5)c4)cnn3c12.[c-]1cccc2c3ccccc3c3c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cnn3c12
InChIInChI=1S/C38H23N4.C35H24N3.C33H20N3.C31H21N4.C31H24N3.C30H16F6N3.C30H22N3.C29H20N3.8Ir/c1-2-15-31-28(12-1)29-13-4-6-17-36(29)42-38(31)33(24-40-42)27-11-9-10-25(22-27)26-19-20-35-32(23-26)30-14-3-5-16-34(30)41(35)37-18-7-8-21-39-37;1-2-37-32-13-6-5-12-29(32)31-22-25(14-16-33(31)37)23-8-7-9-24(20-23)26-15-17-34-30(21-26)27-10-3-4-11-28(27)35-18-19-36-38(34)35;1-2-16-28-24(12-1)25-13-5-8-19-32(25)36-33(28)29(21-34-36)22-10-9-11-23(20-22)35-30-17-6-3-14-26(30)27-15-4-7-18-31(27)35;1-3-34-28-10-6-4-9-23(28)26-18-21(13-15-29(26)34)16-20-12-14-24-25(17-20)22-8-5-7-11-30(22)35-31(24)27(32-2)19-33-35;1-20-19-32-34-29-15-9-6-12-24(29)26-18-21(16-17-25(26)30(20)34)31(2,3)33-27-13-7-4-10-22(27)23-11-5-8-14-28(23)33;31-29(32,33)28(30(34,35)36,38-24-14-6-3-11-20(24)21-12-4-7-15-25(21)38)23-17-37-39-26-16-8-5-10-19(26)18-9-1-2-13-22(18)27(23)39;1-2-32-27-10-6-5-9-24(27)26-19-20(11-13-28(26)32)17-21-12-14-29-25(18-21)22-7-3-4-8-23(22)30-15-16-31-33(29)30;1-19-17-30-32-28-15-14-20(16-25(28)21-8-2-3-11-24(21)29(19)32)18-31-26-12-6-4-9-22(26)23-10-5-7-13-27(23)31;;;;;;;;/h1-16,18-24H;3-16,18-22H,2H2,1H3;1-18,20-21H;4-10,12-15,17-19H,3,16H2,1H3;4-14,16-19H,1-3H3;1-15,17H;3-13,15-16,18-19H,2,17H2,1H3;2-14,16-17H,18H2,1H3;;;;;;;;/q8*-1;;;;;;;;
InChIKeyAZFHVEWGNSQUIH-UHFFFAOYSA-N
MW5274.09 g/mol
LogP64.19
Rot. Bonds20

About 3-(2-carbazol-9-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-(3-carbazol-9-ylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-(2-carbazol-9-ylpropan-2-yl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-[(9-ethylcarbazol-3-yl)methyl]-3-isocyano-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[(9-ethylcarbazol-3-yl)methyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[3-(9-ethylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;octakis(iridium);3-[3-(9-pyridin-2-ylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide

3-(2-carbazol-9-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-(3-carbazol-9-ylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-(2-carbazol-9-ylpropan-2-yl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-[(9-ethylcarbazol-3-yl)methyl]-3-isocyano-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[(9-ethylcarbazol-3-yl)methyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[3-(9-ethylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;octakis(iridium);3-[3-(9-pyridin-2-ylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide (PubChem CID 158460987) has the molecular formula C257H170F6Ir8N26-8 and a molecular weight of 5274.09 g/mol. Its IUPAC name is 3-(2-carbazol-9-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-(3-carbazol-9-ylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-(2-carbazol-9-ylpropan-2-yl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-[(9-ethylcarbazol-3-yl)methyl]-3-isocyano-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[(9-ethylcarbazol-3-yl)methyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[3-(9-ethylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;octakis(iridium);3-[3-(9-pyridin-2-ylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide.

Molecular Properties

Compound Name3-(2-carbazol-9-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-(3-carbazol-9-ylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-(2-carbazol-9-ylpropan-2-yl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-[(9-ethylcarbazol-3-yl)methyl]-3-isocyano-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[(9-ethylcarbazol-3-yl)methyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[3-(9-ethylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;octakis(iridium);3-[3-(9-pyridin-2-ylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide
PubChem CID158460987
Molecular FormulaC257H170F6Ir8N26-8
Molecular Weight5274.09 g/mol
Exact Mass5277.11
IUPAC Name3-(2-carbazol-9-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-(3-carbazol-9-ylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-(2-carbazol-9-ylpropan-2-yl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-[(9-ethylcarbazol-3-yl)methyl]-3-isocyano-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[(9-ethylcarbazol-3-yl)methyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[3-(9-ethylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;octakis(iridium);3-[3-(9-pyridin-2-ylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide
SMILESCCn1c2ccccc2c2cc(-c3cccc(-c4c[c-]c5c(c4)c4ccccc4c4ccnn54)c3)ccc21.CCn1c2ccccc2c2cc(Cc3c[c-]c4c(c3)c3ccccc3c3ccnn43)ccc21.Cc1cnn2c3[c-]cc(Cn4c5ccccc5c5ccccc54)cc3c3ccccc3c12.Cc1cnn2c3[c-]cccc3c3cc(C(C)(C)n4c5ccccc5c5ccccc54)ccc3c12.FC(F)(F)C(c1cnn2c3[c-]cccc3c3ccccc3c12)(n1c2ccccc2c2ccccc21)C(F)(F)F.[C-]#[N+]c1cnn2c3[c-]cccc3c3cc(Cc4ccc5c(c4)c4ccccc4n5CC)ccc3c12.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2c3ccccc3c3c(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccn5)c4)cnn3c12.[c-]1cccc2c3ccccc3c3c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cnn3c12
InChIInChI=1S/C38H23N4.C35H24N3.C33H20N3.C31H21N4.C31H24N3.C30H16F6N3.C30H22N3.C29H20N3.8Ir/c1-2-15-31-28(12-1)29-13-4-6-17-36(29)42-38(31)33(24-40-42)27-11-9-10-25(22-27)26-19-20-35-32(23-26)30-14-3-5-16-34(30)41(35)37-18-7-8-21-39-37;1-2-37-32-13-6-5-12-29(32)31-22-25(14-16-33(31)37)23-8-7-9-24(20-23)26-15-17-34-30(21-26)27-10-3-4-11-28(27)35-18-19-36-38(34)35;1-2-16-28-24(12-1)25-13-5-8-19-32(25)36-33(28)29(21-34-36)22-10-9-11-23(20-22)35-30-17-6-3-14-26(30)27-15-4-7-18-31(27)35;1-3-34-28-10-6-4-9-23(28)26-18-21(13-15-29(26)34)16-20-12-14-24-25(17-20)22-8-5-7-11-30(22)35-31(24)27(32-2)19-33-35;1-20-19-32-34-29-15-9-6-12-24(29)26-18-21(16-17-25(26)30(20)34)31(2,3)33-27-13-7-4-10-22(27)23-11-5-8-14-28(23)33;31-29(32,33)28(30(34,35)36,38-24-14-6-3-11-20(24)21-12-4-7-15-25(21)38)23-17-37-39-26-16-8-5-10-19(26)18-9-1-2-13-22(18)27(23)39;1-2-32-27-10-6-5-9-24(27)26-19-20(11-13-28(26)32)17-21-12-14-29-25(18-21)22-7-3-4-8-23(22)30-15-16-31-33(29)30;1-19-17-30-32-28-15-14-20(16-25(28)21-8-2-3-11-24(21)29(19)32)18-31-26-12-6-4-9-22(26)23-10-5-7-13-27(23)31;;;;;;;;/h1-16,18-24H;3-16,18-22H,2H2,1H3;1-18,20-21H;4-10,12-15,17-19H,3,16H2,1H3;4-14,16-19H,1-3H3;1-15,17H;3-13,15-16,18-19H,2,17H2,1H3;2-14,16-17H,18H2,1H3;;;;;;;;/q8*-1;;;;;;;;
InChIKeyAZFHVEWGNSQUIH-UHFFFAOYSA-N
XLogP64.19
TPSA195.09 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms297
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005274.09
LogP ≤ 564.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 3-(2-carbazol-9-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-(3-carbazol-9-ylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-(2-carbazol-9-ylpropan-2-yl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-[(9-ethylcarbazol-3-yl)methyl]-3-isocyano-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[(9-ethylcarbazol-3-yl)methyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[3-(9-ethylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;octakis(iridium);3-[3-(9-pyridin-2-ylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide with MolForge

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Launch Full Analysis

Related Compounds

bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-dimethyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738427
bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-diphenyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738431
bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-pyren-1-yl-2H-benzimidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738568
bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738573
12-[2-[7,8-Diethyl-7-methyl-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl]ethyl]-16-methyl-4,9,16-triaza-11-azoniahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 123631446
12-[2-[7,8-Diethyl-7-methyl-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl]ethyl]-22-ethyl-6,9,22-triaza-11-azoniahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 123704958
7,8-Diethyl-8-methyl-7-[2-[9-methyl-3-(5-methylpyrido[2,3-b]pyrazin-5-ium-6-yl)carbazol-2-yl]ethyl]-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene
CID 123746536
3-Fluoro-7-[3-[1-[[1-fluoro-2-[7-[3-[5-fluoro-1-[[1-fluoro-2-[6-[3-[5-fluoro-1-[[1-fluoro-2-[5-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]benzimidazol-1-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinolin-4-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline
CID 137391920
14-[2,5-Diethyl-8-(trifluoromethyl)-6,7-diaza-1-azoniatetracyclo[9.4.0.02,5.06,10]pentadeca-1(15),3,7,9,11,13-hexaen-3-yl]-9-phenyl-9,17,22-triaza-15-azoniahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19-decaene
CID 145671435
3-[2-[3,6-Bis(3-methylphenyl)carbazol-9-yl]-5-[3-[4-[5-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[2-[3-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile
CID 146393837
3,6-Di(carbazol-9-yl)-9-[5-[3-(1,2-dihydrocarbazol-9-yl)-6-[3-[9-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-[6-[9-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(3-phenylcarbazol-9-yl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-2-phenylcarbazol-9-yl]-2-pyridinyl]-7-phenylcarbazol-3-yl]carbazol-9-yl]carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]carbazole
CID 146393952
3-[2-[3-[5-[1-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-3-pyridinyl]-3-methyl-6-pyrimidin-2-yl-2-[(1E)-2-pyrimidin-2-ylbuta-1,3-dienyl]indol-5-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile
CID 146393985

Frequently Asked Questions

What is the IUPAC name of 3-(2-carbazol-9-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-(3-carbazol-9-ylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-(2-carbazol-9-ylpropan-2-yl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-[(9-ethylcarbazol-3-yl)methyl]-3-isocyano-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[(9-ethylcarbazol-3-yl)methyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[3-(9-ethylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;octakis(iridium);3-[3-(9-pyridin-2-ylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide?
The IUPAC name of 3-(2-carbazol-9-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-(3-carbazol-9-ylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-(2-carbazol-9-ylpropan-2-yl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-[(9-ethylcarbazol-3-yl)methyl]-3-isocyano-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[(9-ethylcarbazol-3-yl)methyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[3-(9-ethylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;octakis(iridium);3-[3-(9-pyridin-2-ylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide (CID 158460987) is 3-(2-carbazol-9-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-(3-carbazol-9-ylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-(2-carbazol-9-ylpropan-2-yl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-[(9-ethylcarbazol-3-yl)methyl]-3-isocyano-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[(9-ethylcarbazol-3-yl)methyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[3-(9-ethylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;octakis(iridium);3-[3-(9-pyridin-2-ylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide.
What is the SMILES notation for 3-(2-carbazol-9-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-(3-carbazol-9-ylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-(2-carbazol-9-ylpropan-2-yl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-[(9-ethylcarbazol-3-yl)methyl]-3-isocyano-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[(9-ethylcarbazol-3-yl)methyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[3-(9-ethylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;octakis(iridium);3-[3-(9-pyridin-2-ylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide?
The canonical SMILES for 3-(2-carbazol-9-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-(3-carbazol-9-ylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-(2-carbazol-9-ylpropan-2-yl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-[(9-ethylcarbazol-3-yl)methyl]-3-isocyano-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[(9-ethylcarbazol-3-yl)methyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[3-(9-ethylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;octakis(iridium);3-[3-(9-pyridin-2-ylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide is CCn1c2ccccc2c2cc(-c3cccc(-c4c[c-]c5c(c4)c4ccccc4c4ccnn54)c3)ccc21.CCn1c2ccccc2c2cc(Cc3c[c-]c4c(c3)c3ccccc3c3ccnn43)ccc21.Cc1cnn2c3[c-]cc(Cn4c5ccccc5c5ccccc54)cc3c3ccccc3c12.Cc1cnn2c3[c-]cccc3c3cc(C(C)(C)n4c5ccccc5c5ccccc54)ccc3c12.FC(F)(F)C(c1cnn2c3[c-]cccc3c3ccccc3c12)(n1c2ccccc2c2ccccc21)C(F)(F)F.[C-]#[N+]c1cnn2c3[c-]cccc3c3cc(Cc4ccc5c(c4)c4ccccc4n5CC)ccc3c12.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2c3ccccc3c3c(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccn5)c4)cnn3c12.[c-]1cccc2c3ccccc3c3c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cnn3c12.
What is the InChIKey of 3-(2-carbazol-9-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-(3-carbazol-9-ylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-(2-carbazol-9-ylpropan-2-yl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-[(9-ethylcarbazol-3-yl)methyl]-3-isocyano-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[(9-ethylcarbazol-3-yl)methyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[3-(9-ethylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;octakis(iridium);3-[3-(9-pyridin-2-ylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide?
The InChIKey is AZFHVEWGNSQUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N4.C35H24N3.C33H20N3.C31H21N4.C31H24N3.C30H16F6N3.C30H22N3.C29H20N3.8Ir/c1-2-15-31-28(12-1)29-13-4-6-17-36(29)42-38(31)33(24-40-42)27-11-9-10-25(22-27)26-19-20-35-32(23-26)30-14-3-5-16-34(30)41(35)37-18-7-8-21-39-37;1-2-37-32-13-6-5-12-29(32)31-22-25(14-16-33(31)37)23-8-7-9-24(20-23)26-15-17-34-30(21-26)27-10-3-4-11-28(27)35-18-19-36-38(34)35;1-2-16-28-24(12-1)25-13-5-8-19-32(25)36-33(28)29(21-34-36)22-10-9-11-23(20-22)35-30-17-6-3-14-26(30)27-15-4-7-18-31(27)35;1-3-34-28-10-6-4-9-23(28)26-18-21(13-15-29(26)34)16-20-12-14-24-25(17-20)22-8-5-7-11-30(22)35-31(24)27(32-2)19-33-35;1-20-19-32-34-29-15-9-6-12-24(29)26-18-21(16-17-25(26)30(20)34)31(2,3)33-27-13-7-4-10-22(27)23-11-5-8-14-28(23)33;31-29(32,33)28(30(34,35)36,38-24-14-6-3-11-20(24)21-12-4-7-15-25(21)38)23-17-37-39-26-16-8-5-10-19(26)18-9-1-2-13-22(18)27(23)39;1-2-32-27-10-6-5-9-24(27)26-19-20(11-13-28(26)32)17-21-12-14-29-25(18-21)22-7-3-4-8-23(22)30-15-16-31-33(29)30;1-19-17-30-32-28-15-14-20(16-25(28)21-8-2-3-11-24(21)29(19)32)18-31-26-12-6-4-9-22(26)23-10-5-7-13-27(23)31;;;;;;;;/h1-16,18-24H;3-16,18-22H,2H2,1H3;1-18,20-21H;4-10,12-15,17-19H,3,16H2,1H3;4-14,16-19H,1-3H3;1-15,17H;3-13,15-16,18-19H,2,17H2,1H3;2-14,16-17H,18H2,1H3;;;;;;;;/q8*-1;;;;;;;;.
What are the key properties of 3-(2-carbazol-9-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-(3-carbazol-9-ylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-(2-carbazol-9-ylpropan-2-yl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-[(9-ethylcarbazol-3-yl)methyl]-3-isocyano-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[(9-ethylcarbazol-3-yl)methyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[3-(9-ethylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;octakis(iridium);3-[3-(9-pyridin-2-ylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide?
3-(2-carbazol-9-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-(3-carbazol-9-ylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-(2-carbazol-9-ylpropan-2-yl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-[(9-ethylcarbazol-3-yl)methyl]-3-isocyano-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[(9-ethylcarbazol-3-yl)methyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[3-(9-ethylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;octakis(iridium);3-[3-(9-pyridin-2-ylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide has a molecular weight of 5274.09 g/mol, XLogP of 64.19, 20 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carbazol-9-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-(3-carbazol-9-ylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-(2-carbazol-9-ylpropan-2-yl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-[(9-ethylcarbazol-3-yl)methyl]-3-isocyano-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[(9-ethylcarbazol-3-yl)methyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[3-(9-ethylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;octakis(iridium);3-[3-(9-pyridin-2-ylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide is sourced from PubChem (CID 158460987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).