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

C221H124F24N16 — CID 158407920

IUPAC9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole
SMILESFc1c(F)c(F)c(-c2cc(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(C(F)(F)F)c(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c2)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4ccc(-c5ccc(-c6ccccc6)nc5)cc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c(C(F)(F)F)c(-n3c4ccc(-c5ccc(-c6ccccc6)nc5)cc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c2)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c(C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c2)c(F)c1F
InChIInChI=1S/2C81H46F8N6.C59H32F8N4/c82-76-74(77(83)79(85)80(86)78(76)84)59-41-72(94-68-33-25-51(55-21-29-64(90-43-55)47-13-5-1-6-14-47)37-60(68)61-38-52(26-34-69(61)94)56-22-30-65(91-44-56)48-15-7-2-8-16-48)75(81(87,88)89)73(42-59)95-70-35-27-53(57-23-31-66(92-45-57)49-17-9-3-10-18-49)39-62(70)63-40-54(28-36-71(63)95)58-24-32-67(93-46-58)50-19-11-4-12-20-50;82-76-74(77(83)79(85)80(86)78(76)84)59-41-72(94-68-37-51(55-25-33-64(90-43-55)47-13-5-1-6-14-47)21-29-60(68)61-30-22-52(38-69(61)94)56-26-34-65(91-44-56)48-15-7-2-8-16-48)75(81(87,88)89)73(42-59)95-70-39-53(57-27-35-66(92-45-57)49-17-9-3-10-18-49)23-31-62(70)63-32-24-54(40-71(63)95)58-28-36-67(93-46-58)50-19-11-4-12-20-50;60-54-52(55(61)57(63)58(64)56(54)62)39-29-50(70-46-17-9-7-15-40(46)42-27-35(21-25-48(42)70)37-19-23-44(68-31-37)33-11-3-1-4-12-33)53(59(65,66)67)51(30-39)71-47-18-10-8-16-41(47)43-28-36(22-26-49(43)71)38-20-24-45(69-32-38)34-13-5-2-6-14-34/h2*1-46H;1-32H
InChIKeyGYXWOFAKPLKDIY-UHFFFAOYSA-N
MW3459.49 g/mol
LogP61.08
Rot. Bonds29

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

9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole (PubChem CID 158407920) has the molecular formula C221H124F24N16 and a molecular weight of 3459.49 g/mol. Its IUPAC name is 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole.

Molecular Properties

Compound Name9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole
PubChem CID158407920
Molecular FormulaC221H124F24N16
Molecular Weight3459.49 g/mol
Exact Mass3456.98
IUPAC Name9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole
SMILESFc1c(F)c(F)c(-c2cc(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(C(F)(F)F)c(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c2)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4ccc(-c5ccc(-c6ccccc6)nc5)cc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c(C(F)(F)F)c(-n3c4ccc(-c5ccc(-c6ccccc6)nc5)cc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c2)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c(C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c2)c(F)c1F
InChIInChI=1S/2C81H46F8N6.C59H32F8N4/c82-76-74(77(83)79(85)80(86)78(76)84)59-41-72(94-68-33-25-51(55-21-29-64(90-43-55)47-13-5-1-6-14-47)37-60(68)61-38-52(26-34-69(61)94)56-22-30-65(91-44-56)48-15-7-2-8-16-48)75(81(87,88)89)73(42-59)95-70-35-27-53(57-23-31-66(92-45-57)49-17-9-3-10-18-49)39-62(70)63-40-54(28-36-71(63)95)58-24-32-67(93-46-58)50-19-11-4-12-20-50;82-76-74(77(83)79(85)80(86)78(76)84)59-41-72(94-68-37-51(55-25-33-64(90-43-55)47-13-5-1-6-14-47)21-29-60(68)61-30-22-52(38-69(61)94)56-26-34-65(91-44-56)48-15-7-2-8-16-48)75(81(87,88)89)73(42-59)95-70-39-53(57-27-35-66(92-45-57)49-17-9-3-10-18-49)23-31-62(70)63-32-24-54(40-71(63)95)58-28-36-67(93-46-58)50-19-11-4-12-20-50;60-54-52(55(61)57(63)58(64)56(54)62)39-29-50(70-46-17-9-7-15-40(46)42-27-35(21-25-48(42)70)37-19-23-44(68-31-37)33-11-3-1-4-12-33)53(59(65,66)67)51(30-39)71-47-18-10-8-16-41(47)43-28-36(22-26-49(43)71)38-20-24-45(69-32-38)34-13-5-2-6-14-34/h2*1-46H;1-32H
InChIKeyGYXWOFAKPLKDIY-UHFFFAOYSA-N
XLogP61.08
TPSA158.48 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds29
Heavy Atoms261
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003459.49
LogP ≤ 561.08
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-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole?
The IUPAC name of 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole (CID 158407920) is 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole.
What is the SMILES notation for 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole?
The canonical SMILES for 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole is Fc1c(F)c(F)c(-c2cc(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(C(F)(F)F)c(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c2)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4ccc(-c5ccc(-c6ccccc6)nc5)cc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c(C(F)(F)F)c(-n3c4ccc(-c5ccc(-c6ccccc6)nc5)cc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c2)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c(C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c2)c(F)c1F.
What is the InChIKey of 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole?
The InChIKey is GYXWOFAKPLKDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C81H46F8N6.C59H32F8N4/c82-76-74(77(83)79(85)80(86)78(76)84)59-41-72(94-68-33-25-51(55-21-29-64(90-43-55)47-13-5-1-6-14-47)37-60(68)61-38-52(26-34-69(61)94)56-22-30-65(91-44-56)48-15-7-2-8-16-48)75(81(87,88)89)73(42-59)95-70-35-27-53(57-23-31-66(92-45-57)49-17-9-3-10-18-49)39-62(70)63-40-54(28-36-71(63)95)58-24-32-67(93-46-58)50-19-11-4-12-20-50;82-76-74(77(83)79(85)80(86)78(76)84)59-41-72(94-68-37-51(55-25-33-64(90-43-55)47-13-5-1-6-14-47)21-29-60(68)61-30-22-52(38-69(61)94)56-26-34-65(91-44-56)48-15-7-2-8-16-48)75(81(87,88)89)73(42-59)95-70-39-53(57-27-35-66(92-45-57)49-17-9-3-10-18-49)23-31-62(70)63-32-24-54(40-71(63)95)58-28-36-67(93-46-58)50-19-11-4-12-20-50;60-54-52(55(61)57(63)58(64)56(54)62)39-29-50(70-46-17-9-7-15-40(46)42-27-35(21-25-48(42)70)37-19-23-44(68-31-37)33-11-3-1-4-12-33)53(59(65,66)67)51(30-39)71-47-18-10-8-16-41(47)43-28-36(22-26-49(43)71)38-20-24-45(69-32-38)34-13-5-2-6-14-34/h2*1-46H;1-32H.
What are the key properties of 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole?
9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole has a molecular weight of 3459.49 g/mol, XLogP of 61.08, 29 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole is sourced from PubChem (CID 158407920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).