9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[4-(2,3,4,5,6-pentafluorophenyl)-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole

C221H127F21N16 — CID 158351306

IUPAC9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[4-(2,3,4,5,6-pentafluorophenyl)-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole
SMILESCc1cc(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)cc1-c1c(F)c(F)c(F)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4cc(-c5cccnc5-c5ccccc5)ccc4c4ccc(-c5cccnc5-c5ccccc5)cc43)c(-n3c4cc(-c5cccnc5-c5ccccc5)ccc4c4ccc(-c5cccnc5-c5ccccc5)cc43)cc2C(F)(F)F)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)c(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cc2C(F)(F)F)c(F)c1F
InChIInChI=1S/C81H46F8N6.C81H49F5N6.C59H32F8N4/c82-72-71(73(83)75(85)76(86)74(72)84)63-45-69(94-65-41-51(55-25-13-37-90-77(55)47-17-5-1-6-18-47)29-33-59(65)60-34-30-52(42-66(60)94)56-26-14-38-91-78(56)48-19-7-2-8-20-48)70(46-64(63)81(87,88)89)95-67-43-53(57-27-15-39-92-79(57)49-21-9-3-10-22-49)31-35-61(67)62-36-32-54(44-68(62)95)58-28-16-40-93-80(58)50-23-11-4-12-24-50;1-48-42-70(91-66-34-30-53(57-26-14-38-87-78(57)49-18-6-2-7-19-49)43-62(66)63-44-54(31-35-67(63)91)58-27-15-39-88-79(58)50-20-8-3-9-21-50)71(47-61(48)72-73(82)75(84)77(86)76(85)74(72)83)92-68-36-32-55(59-28-16-40-89-80(59)51-22-10-4-11-23-51)45-64(68)65-46-56(33-37-69(65)92)60-29-17-41-90-81(60)52-24-12-5-13-25-52;60-52-51(53(61)55(63)56(64)54(52)62)43-31-49(70-45-21-9-7-17-39(45)41-29-35(23-25-47(41)70)37-19-11-27-68-57(37)33-13-3-1-4-14-33)50(32-44(43)59(65,66)67)71-46-22-10-8-18-40(46)42-30-36(24-26-48(42)71)38-20-12-28-69-58(38)34-15-5-2-6-16-34/h1-46H;2-47H,1H3;1-32H
InChIKeyGSIUEQDEWDSXTR-UHFFFAOYSA-N
MW3405.52 g/mol
LogP60.37
Rot. Bonds29

About 9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[4-(2,3,4,5,6-pentafluorophenyl)-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole

9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[4-(2,3,4,5,6-pentafluorophenyl)-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole (PubChem CID 158351306) has the molecular formula C221H127F21N16 and a molecular weight of 3405.52 g/mol. Its IUPAC name is 9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[4-(2,3,4,5,6-pentafluorophenyl)-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole.

Molecular Properties

Compound Name9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[4-(2,3,4,5,6-pentafluorophenyl)-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole
PubChem CID158351306
Molecular FormulaC221H127F21N16
Molecular Weight3405.52 g/mol
Exact Mass3403.01
IUPAC Name9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[4-(2,3,4,5,6-pentafluorophenyl)-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole
SMILESCc1cc(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)cc1-c1c(F)c(F)c(F)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4cc(-c5cccnc5-c5ccccc5)ccc4c4ccc(-c5cccnc5-c5ccccc5)cc43)c(-n3c4cc(-c5cccnc5-c5ccccc5)ccc4c4ccc(-c5cccnc5-c5ccccc5)cc43)cc2C(F)(F)F)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)c(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cc2C(F)(F)F)c(F)c1F
InChIInChI=1S/C81H46F8N6.C81H49F5N6.C59H32F8N4/c82-72-71(73(83)75(85)76(86)74(72)84)63-45-69(94-65-41-51(55-25-13-37-90-77(55)47-17-5-1-6-18-47)29-33-59(65)60-34-30-52(42-66(60)94)56-26-14-38-91-78(56)48-19-7-2-8-20-48)70(46-64(63)81(87,88)89)95-67-43-53(57-27-15-39-92-79(57)49-21-9-3-10-22-49)31-35-61(67)62-36-32-54(44-68(62)95)58-28-16-40-93-80(58)50-23-11-4-12-24-50;1-48-42-70(91-66-34-30-53(57-26-14-38-87-78(57)49-18-6-2-7-19-49)43-62(66)63-44-54(31-35-67(63)91)58-27-15-39-88-79(58)50-20-8-3-9-21-50)71(47-61(48)72-73(82)75(84)77(86)76(85)74(72)83)92-68-36-32-55(59-28-16-40-89-80(59)51-22-10-4-11-23-51)45-64(68)65-46-56(33-37-69(65)92)60-29-17-41-90-81(60)52-24-12-5-13-25-52;60-52-51(53(61)55(63)56(64)54(52)62)43-31-49(70-45-21-9-7-17-39(45)41-29-35(23-25-47(41)70)37-19-11-27-68-57(37)33-13-3-1-4-14-33)50(32-44(43)59(65,66)67)71-46-22-10-8-18-40(46)42-30-36(24-26-48(42)71)38-20-12-28-69-58(38)34-15-5-2-6-16-34/h1-46H;2-47H,1H3;1-32H
InChIKeyGSIUEQDEWDSXTR-UHFFFAOYSA-N
XLogP60.37
TPSA158.48 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds29
Heavy Atoms258
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003405.52
LogP ≤ 560.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[4-(2,3,4,5,6-pentafluorophenyl)-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole with MolForge

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Related Compounds

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Ru(II)(phen)2(phen-cyclam-Fe(III))
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Ru(II)(phen)2(phen-cyclam-Co(III)-Cl2)
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Ru(II)(phen)2(phen-cyclam-2H+)
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(Mu-11,11'-Bidipyrido[3,2-A:2',3'-C]phenazine-1kappa~2~n~4~,N~5~:2kappa~2~n~4'~,N~5'~)[tetrakis(1,10-Phenanthroline-Kappa~2~n~1~,N~10~)]diruthenium
CID 73010381
Tris(4,7-diphenyl-1,10-phenanthroline)ruthenium(2+)
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Frequently Asked Questions

What is the IUPAC name of 9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[4-(2,3,4,5,6-pentafluorophenyl)-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole?
The IUPAC name of 9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[4-(2,3,4,5,6-pentafluorophenyl)-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole (CID 158351306) is 9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[4-(2,3,4,5,6-pentafluorophenyl)-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole.
What is the SMILES notation for 9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[4-(2,3,4,5,6-pentafluorophenyl)-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole?
The canonical SMILES for 9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[4-(2,3,4,5,6-pentafluorophenyl)-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole is Cc1cc(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)cc1-c1c(F)c(F)c(F)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4cc(-c5cccnc5-c5ccccc5)ccc4c4ccc(-c5cccnc5-c5ccccc5)cc43)c(-n3c4cc(-c5cccnc5-c5ccccc5)ccc4c4ccc(-c5cccnc5-c5ccccc5)cc43)cc2C(F)(F)F)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)c(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cc2C(F)(F)F)c(F)c1F.
What is the InChIKey of 9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[4-(2,3,4,5,6-pentafluorophenyl)-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole?
The InChIKey is GSIUEQDEWDSXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H46F8N6.C81H49F5N6.C59H32F8N4/c82-72-71(73(83)75(85)76(86)74(72)84)63-45-69(94-65-41-51(55-25-13-37-90-77(55)47-17-5-1-6-18-47)29-33-59(65)60-34-30-52(42-66(60)94)56-26-14-38-91-78(56)48-19-7-2-8-20-48)70(46-64(63)81(87,88)89)95-67-43-53(57-27-15-39-92-79(57)49-21-9-3-10-22-49)31-35-61(67)62-36-32-54(44-68(62)95)58-28-16-40-93-80(58)50-23-11-4-12-24-50;1-48-42-70(91-66-34-30-53(57-26-14-38-87-78(57)49-18-6-2-7-19-49)43-62(66)63-44-54(31-35-67(63)91)58-27-15-39-88-79(58)50-20-8-3-9-21-50)71(47-61(48)72-73(82)75(84)77(86)76(85)74(72)83)92-68-36-32-55(59-28-16-40-89-80(59)51-22-10-4-11-23-51)45-64(68)65-46-56(33-37-69(65)92)60-29-17-41-90-81(60)52-24-12-5-13-25-52;60-52-51(53(61)55(63)56(64)54(52)62)43-31-49(70-45-21-9-7-17-39(45)41-29-35(23-25-47(41)70)37-19-11-27-68-57(37)33-13-3-1-4-14-33)50(32-44(43)59(65,66)67)71-46-22-10-8-18-40(46)42-30-36(24-26-48(42)71)38-20-12-28-69-58(38)34-15-5-2-6-16-34/h1-46H;2-47H,1H3;1-32H.
What are the key properties of 9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[4-(2,3,4,5,6-pentafluorophenyl)-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole?
9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[4-(2,3,4,5,6-pentafluorophenyl)-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole has a molecular weight of 3405.52 g/mol, XLogP of 60.37, 29 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[4-(2,3,4,5,6-pentafluorophenyl)-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole is sourced from PubChem (CID 158351306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).