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

C221H133F15N16 — CID 157489588

IUPAC9-[2-[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-4-pyridinyl)carbazole;9-[2-[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-4-pyridinyl)carbazole;9-[4-(2,6-difluorophenyl)-2-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-4-pyridinyl)carbazole
SMILESFc1cccc(F)c1-c1cc(-n2c3cc(-c4ccnc(-c5ccccc5)c4)ccc3c3ccc(-c4ccnc(-c5ccccc5)c4)cc32)c(-n2c3cc(-c4ccnc(-c5ccccc5)c4)ccc3c3ccc(-c4ccnc(-c5ccccc5)c4)cc32)cc1C(F)(F)F.Fc1cccc(F)c1-c1cc(-n2c3ccc(-c4ccnc(-c5ccccc5)c4)cc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)c(-n2c3ccc(-c4ccnc(-c5ccccc5)c4)cc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)cc1C(F)(F)F.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)c(-n2c3ccccc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)cc1C(F)(F)F
InChIInChI=1S/2C81H49F5N6.C59H35F5N4/c82-68-22-13-23-69(83)80(68)66-48-78(91-74-44-54(58-32-36-87-70(40-58)50-14-5-1-6-15-50)24-28-62(74)63-29-25-55(45-75(63)91)59-33-37-88-71(41-59)51-16-7-2-8-17-51)79(49-67(66)81(84,85)86)92-76-46-56(60-34-38-89-72(42-60)52-18-9-3-10-19-52)26-30-64(76)65-31-27-57(47-77(65)92)61-35-39-90-73(43-61)53-20-11-4-12-21-53;82-68-22-13-23-69(83)80(68)66-48-78(91-74-28-24-54(58-32-36-87-70(44-58)50-14-5-1-6-15-50)40-62(74)63-41-55(25-29-75(63)91)59-33-37-88-71(45-59)51-16-7-2-8-17-51)79(49-67(66)81(84,85)86)92-76-30-26-56(60-34-38-89-72(46-60)52-18-9-3-10-19-52)42-64(76)65-43-57(27-31-77(65)92)61-35-39-90-73(47-61)53-20-11-4-12-21-53;60-48-18-11-19-49(61)58(48)46-34-56(67-52-20-9-7-16-42(52)44-30-38(22-24-54(44)67)40-26-28-65-50(32-40)36-12-3-1-4-13-36)57(35-47(46)59(62,63)64)68-53-21-10-8-17-43(53)45-31-39(23-25-55(45)68)41-27-29-66-51(33-41)37-14-5-2-6-15-37/h2*1-49H;1-35H
InChIKeyBXCPTXRSXLSYEG-UHFFFAOYSA-N
MW3297.58 g/mol
LogP59.82
Rot. Bonds29

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

9-[2-[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-4-pyridinyl)carbazole;9-[2-[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-4-pyridinyl)carbazole;9-[4-(2,6-difluorophenyl)-2-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-4-pyridinyl)carbazole (PubChem CID 157489588) has the molecular formula C221H133F15N16 and a molecular weight of 3297.58 g/mol. Its IUPAC name is 9-[2-[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-4-pyridinyl)carbazole;9-[2-[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-4-pyridinyl)carbazole;9-[4-(2,6-difluorophenyl)-2-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-4-pyridinyl)carbazole.

Molecular Properties

Compound Name9-[2-[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-4-pyridinyl)carbazole;9-[2-[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-4-pyridinyl)carbazole;9-[4-(2,6-difluorophenyl)-2-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-4-pyridinyl)carbazole
PubChem CID157489588
Molecular FormulaC221H133F15N16
Molecular Weight3297.58 g/mol
Exact Mass3295.07
IUPAC Name9-[2-[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-4-pyridinyl)carbazole;9-[2-[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-4-pyridinyl)carbazole;9-[4-(2,6-difluorophenyl)-2-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-4-pyridinyl)carbazole
SMILESFc1cccc(F)c1-c1cc(-n2c3cc(-c4ccnc(-c5ccccc5)c4)ccc3c3ccc(-c4ccnc(-c5ccccc5)c4)cc32)c(-n2c3cc(-c4ccnc(-c5ccccc5)c4)ccc3c3ccc(-c4ccnc(-c5ccccc5)c4)cc32)cc1C(F)(F)F.Fc1cccc(F)c1-c1cc(-n2c3ccc(-c4ccnc(-c5ccccc5)c4)cc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)c(-n2c3ccc(-c4ccnc(-c5ccccc5)c4)cc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)cc1C(F)(F)F.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)c(-n2c3ccccc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)cc1C(F)(F)F
InChIInChI=1S/2C81H49F5N6.C59H35F5N4/c82-68-22-13-23-69(83)80(68)66-48-78(91-74-44-54(58-32-36-87-70(40-58)50-14-5-1-6-15-50)24-28-62(74)63-29-25-55(45-75(63)91)59-33-37-88-71(41-59)51-16-7-2-8-17-51)79(49-67(66)81(84,85)86)92-76-46-56(60-34-38-89-72(42-60)52-18-9-3-10-19-52)26-30-64(76)65-31-27-57(47-77(65)92)61-35-39-90-73(43-61)53-20-11-4-12-21-53;82-68-22-13-23-69(83)80(68)66-48-78(91-74-28-24-54(58-32-36-87-70(44-58)50-14-5-1-6-15-50)40-62(74)63-41-55(25-29-75(63)91)59-33-37-88-71(45-59)51-16-7-2-8-17-51)79(49-67(66)81(84,85)86)92-76-30-26-56(60-34-38-89-72(46-60)52-18-9-3-10-19-52)42-64(76)65-43-57(27-31-77(65)92)61-35-39-90-73(47-61)53-20-11-4-12-21-53;60-48-18-11-19-49(61)58(48)46-34-56(67-52-20-9-7-16-42(52)44-30-38(22-24-54(44)67)40-26-28-65-50(32-40)36-12-3-1-4-13-36)57(35-47(46)59(62,63)64)68-53-21-10-8-17-43(53)45-31-39(23-25-55(45)68)41-27-29-66-51(33-41)37-14-5-2-6-15-37/h2*1-49H;1-35H
InChIKeyBXCPTXRSXLSYEG-UHFFFAOYSA-N
XLogP59.82
TPSA158.48 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds29
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003297.58
LogP ≤ 559.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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

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Related Compounds

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CID 16683886
Ru(II)(phen)2(phen-cyclam-Fe(III))
CID 16683887
Ru(II)(phen)2(phen-cyclam-Co(III)-Cl2)
CID 16683888
Ru(II)(phen)2(phen-cyclam-2H+)
CID 16683894
(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+)
CID 11980300
Tris(4,7-dimethyl-1,10-phenanthroline);ruthenium(2+);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139118151
Gross107 (Sudhakar)
CID 139174614
12,13,30,31-Tetrabutyl-3,4,21,22,39,40,43,44-octafluoro-1,6,19,24-tetrazaundecacyclo[22.12.2.22,5.26,16.220,23.010,15.027,38.028,33.034,37.09,42.019,41]tetratetraconta-2,4,7,9,11,13,15,17,20(40),21,23(39),25,27,29,31,33,35,37,41,43-icosaene
CID 168305683
Nickel(2+);bis(pentane);bis(quinolin-8-yl-[2-(trifluoromethyl)phenanthridin-4-yl]azanide)
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Frequently Asked Questions

What is the IUPAC name of 9-[2-[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-4-pyridinyl)carbazole;9-[2-[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-4-pyridinyl)carbazole;9-[4-(2,6-difluorophenyl)-2-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-4-pyridinyl)carbazole?
The IUPAC name of 9-[2-[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-4-pyridinyl)carbazole;9-[2-[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-4-pyridinyl)carbazole;9-[4-(2,6-difluorophenyl)-2-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-4-pyridinyl)carbazole (CID 157489588) is 9-[2-[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-4-pyridinyl)carbazole;9-[2-[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-4-pyridinyl)carbazole;9-[4-(2,6-difluorophenyl)-2-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-4-pyridinyl)carbazole.
What is the SMILES notation for 9-[2-[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-4-pyridinyl)carbazole;9-[2-[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-4-pyridinyl)carbazole;9-[4-(2,6-difluorophenyl)-2-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-4-pyridinyl)carbazole?
The canonical SMILES for 9-[2-[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-4-pyridinyl)carbazole;9-[2-[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-4-pyridinyl)carbazole;9-[4-(2,6-difluorophenyl)-2-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-4-pyridinyl)carbazole is Fc1cccc(F)c1-c1cc(-n2c3cc(-c4ccnc(-c5ccccc5)c4)ccc3c3ccc(-c4ccnc(-c5ccccc5)c4)cc32)c(-n2c3cc(-c4ccnc(-c5ccccc5)c4)ccc3c3ccc(-c4ccnc(-c5ccccc5)c4)cc32)cc1C(F)(F)F.Fc1cccc(F)c1-c1cc(-n2c3ccc(-c4ccnc(-c5ccccc5)c4)cc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)c(-n2c3ccc(-c4ccnc(-c5ccccc5)c4)cc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)cc1C(F)(F)F.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)c(-n2c3ccccc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)cc1C(F)(F)F.
What is the InChIKey of 9-[2-[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-4-pyridinyl)carbazole;9-[2-[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-4-pyridinyl)carbazole;9-[4-(2,6-difluorophenyl)-2-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-4-pyridinyl)carbazole?
The InChIKey is BXCPTXRSXLSYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C81H49F5N6.C59H35F5N4/c82-68-22-13-23-69(83)80(68)66-48-78(91-74-44-54(58-32-36-87-70(40-58)50-14-5-1-6-15-50)24-28-62(74)63-29-25-55(45-75(63)91)59-33-37-88-71(41-59)51-16-7-2-8-17-51)79(49-67(66)81(84,85)86)92-76-46-56(60-34-38-89-72(42-60)52-18-9-3-10-19-52)26-30-64(76)65-31-27-57(47-77(65)92)61-35-39-90-73(43-61)53-20-11-4-12-21-53;82-68-22-13-23-69(83)80(68)66-48-78(91-74-28-24-54(58-32-36-87-70(44-58)50-14-5-1-6-15-50)40-62(74)63-41-55(25-29-75(63)91)59-33-37-88-71(45-59)51-16-7-2-8-17-51)79(49-67(66)81(84,85)86)92-76-30-26-56(60-34-38-89-72(46-60)52-18-9-3-10-19-52)42-64(76)65-43-57(27-31-77(65)92)61-35-39-90-73(47-61)53-20-11-4-12-21-53;60-48-18-11-19-49(61)58(48)46-34-56(67-52-20-9-7-16-42(52)44-30-38(22-24-54(44)67)40-26-28-65-50(32-40)36-12-3-1-4-13-36)57(35-47(46)59(62,63)64)68-53-21-10-8-17-43(53)45-31-39(23-25-55(45)68)41-27-29-66-51(33-41)37-14-5-2-6-15-37/h2*1-49H;1-35H.
What are the key properties of 9-[2-[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-4-pyridinyl)carbazole;9-[2-[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-4-pyridinyl)carbazole;9-[4-(2,6-difluorophenyl)-2-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-4-pyridinyl)carbazole?
9-[2-[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-4-pyridinyl)carbazole;9-[2-[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-4-pyridinyl)carbazole;9-[4-(2,6-difluorophenyl)-2-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-4-pyridinyl)carbazole has a molecular weight of 3297.58 g/mol, XLogP of 59.82, 29 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-4-pyridinyl)carbazole;9-[2-[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-4-pyridinyl)carbazole;9-[4-(2,6-difluorophenyl)-2-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-4-pyridinyl)carbazole is sourced from PubChem (CID 157489588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).