9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-3,6-diphenylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-phenylcarbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-phenylcarbazole

C230H210F6N18 — CID 158886325

IUPAC9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-3,6-diphenylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-phenylcarbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-phenylcarbazole
SMILESCC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c(-c4ccncc4-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)c3)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c(-c4ccncc4-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c3)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c(-c4ccncc4-n4c5ccccc5c5ccccc54)c3)n2)cc(C(C)(C)C)c1
InChIInChI=1S/C80H70F6N6.C78H72N6.C72H68N6/c1-75(2,3)56-35-52(36-57(42-56)76(4,5)6)73-88-72(89-74(90-73)53-37-58(77(7,8)9)43-59(38-53)78(10,11)12)51-25-30-66(91-67-28-23-49(47-19-15-13-16-20-47)39-62(67)63-40-50(24-29-68(63)91)48-21-17-14-18-22-48)61(41-51)60-33-34-87-46-71(60)92-69-31-26-54(79(81,82)83)44-64(69)65-45-55(80(84,85)86)27-32-70(65)92;1-75(2,3)56-39-54(40-57(46-56)76(4,5)6)73-80-72(81-74(82-73)55-41-58(77(7,8)9)47-59(42-55)78(10,11)12)53-33-36-69(83-66-29-21-19-27-60(66)63-43-51(31-34-68(63)83)49-23-15-13-16-24-49)65(45-53)62-37-38-79-48-71(62)84-67-30-22-20-28-61(67)64-44-52(32-35-70(64)84)50-25-17-14-18-26-50;1-69(2,3)50-36-48(37-51(42-50)70(4,5)6)67-74-66(75-68(76-67)49-38-52(71(7,8)9)43-53(39-49)72(10,11)12)47-31-33-64(77-62-29-21-18-26-56(62)58-40-46(30-32-63(58)77)45-22-14-13-15-23-45)59(41-47)57-34-35-73-44-65(57)78-60-27-19-16-24-54(60)55-25-17-20-28-61(55)78/h13-46H,1-12H3;13-48H,1-12H3;13-44H,1-12H3
InChIKeyJDRGERCCJKIPHT-UHFFFAOYSA-N
MW3340.32 g/mol
LogP62.33
Rot. Bonds23

About 9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-3,6-diphenylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-phenylcarbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-phenylcarbazole

9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-3,6-diphenylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-phenylcarbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-phenylcarbazole (PubChem CID 158886325) has the molecular formula C230H210F6N18 and a molecular weight of 3340.32 g/mol. Its IUPAC name is 9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-3,6-diphenylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-phenylcarbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-3,6-diphenylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-phenylcarbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-phenylcarbazole
PubChem CID158886325
Molecular FormulaC230H210F6N18
Molecular Weight3340.32 g/mol
Exact Mass3337.69
IUPAC Name9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-3,6-diphenylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-phenylcarbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-phenylcarbazole
SMILESCC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c(-c4ccncc4-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)c3)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c(-c4ccncc4-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c3)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c(-c4ccncc4-n4c5ccccc5c5ccccc54)c3)n2)cc(C(C)(C)C)c1
InChIInChI=1S/C80H70F6N6.C78H72N6.C72H68N6/c1-75(2,3)56-35-52(36-57(42-56)76(4,5)6)73-88-72(89-74(90-73)53-37-58(77(7,8)9)43-59(38-53)78(10,11)12)51-25-30-66(91-67-28-23-49(47-19-15-13-16-20-47)39-62(67)63-40-50(24-29-68(63)91)48-21-17-14-18-22-48)61(41-51)60-33-34-87-46-71(60)92-69-31-26-54(79(81,82)83)44-64(69)65-45-55(80(84,85)86)27-32-70(65)92;1-75(2,3)56-39-54(40-57(46-56)76(4,5)6)73-80-72(81-74(82-73)55-41-58(77(7,8)9)47-59(42-55)78(10,11)12)53-33-36-69(83-66-29-21-19-27-60(66)63-43-51(31-34-68(63)83)49-23-15-13-16-24-49)65(45-53)62-37-38-79-48-71(62)84-67-30-22-20-28-61(67)64-44-52(32-35-70(64)84)50-25-17-14-18-26-50;1-69(2,3)50-36-48(37-51(42-50)70(4,5)6)67-74-66(75-68(76-67)49-38-52(71(7,8)9)43-53(39-49)72(10,11)12)47-31-33-64(77-62-29-21-18-26-56(62)58-40-46(30-32-63(58)77)45-22-14-13-15-23-45)59(41-47)57-34-35-73-44-65(57)78-60-27-19-16-24-54(60)55-25-17-20-28-61(55)78/h13-46H,1-12H3;13-48H,1-12H3;13-44H,1-12H3
InChIKeyJDRGERCCJKIPHT-UHFFFAOYSA-N
XLogP62.33
TPSA184.26 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003340.32
LogP ≤ 562.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-3,6-diphenylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-phenylcarbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-phenylcarbazole with MolForge

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Related Compounds

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CID 23391288
2-[3,5-Bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-fluorophenyl)imidazo[4,5-b]pyridine
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9-[6-[4-(4-Pyrido[3,4-b]indol-9-ylphenyl)-6-[6-(trifluoromethyl)pyridin-2-yl]pyridin-2-yl]pyridin-2-yl]pyrido[3,4-b]indole
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3-[2-[4-Methyl-1-(9-phenylcarbazol-3-yl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]-9-phenylcarbazole
CID 70906150
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CID 87418831
9-Phenyl-3-[2-[1-(9-phenylcarbazol-3-yl)-4-(trifluoromethyl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]carbazole
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7-(3,10-Diphenylpyrrolo[3,2-a]carbazol-7-yl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole
CID 90183058
7-[9-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]-3,10-diphenylpyrrolo[3,2-a]carbazole
CID 90183108

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-3,6-diphenylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-phenylcarbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-phenylcarbazole?
The IUPAC name of 9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-3,6-diphenylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-phenylcarbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-phenylcarbazole (CID 158886325) is 9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-3,6-diphenylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-phenylcarbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-phenylcarbazole.
What is the SMILES notation for 9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-3,6-diphenylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-phenylcarbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-phenylcarbazole?
The canonical SMILES for 9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-3,6-diphenylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-phenylcarbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-phenylcarbazole is CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c(-c4ccncc4-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)c3)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c(-c4ccncc4-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c3)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c(-c4ccncc4-n4c5ccccc5c5ccccc54)c3)n2)cc(C(C)(C)C)c1.
What is the InChIKey of 9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-3,6-diphenylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-phenylcarbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-phenylcarbazole?
The InChIKey is JDRGERCCJKIPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H70F6N6.C78H72N6.C72H68N6/c1-75(2,3)56-35-52(36-57(42-56)76(4,5)6)73-88-72(89-74(90-73)53-37-58(77(7,8)9)43-59(38-53)78(10,11)12)51-25-30-66(91-67-28-23-49(47-19-15-13-16-20-47)39-62(67)63-40-50(24-29-68(63)91)48-21-17-14-18-22-48)61(41-51)60-33-34-87-46-71(60)92-69-31-26-54(79(81,82)83)44-64(69)65-45-55(80(84,85)86)27-32-70(65)92;1-75(2,3)56-39-54(40-57(46-56)76(4,5)6)73-80-72(81-74(82-73)55-41-58(77(7,8)9)47-59(42-55)78(10,11)12)53-33-36-69(83-66-29-21-19-27-60(66)63-43-51(31-34-68(63)83)49-23-15-13-16-24-49)65(45-53)62-37-38-79-48-71(62)84-67-30-22-20-28-61(67)64-44-52(32-35-70(64)84)50-25-17-14-18-26-50;1-69(2,3)50-36-48(37-51(42-50)70(4,5)6)67-74-66(75-68(76-67)49-38-52(71(7,8)9)43-53(39-49)72(10,11)12)47-31-33-64(77-62-29-21-18-26-56(62)58-40-46(30-32-63(58)77)45-22-14-13-15-23-45)59(41-47)57-34-35-73-44-65(57)78-60-27-19-16-24-54(60)55-25-17-20-28-61(55)78/h13-46H,1-12H3;13-48H,1-12H3;13-44H,1-12H3.
What are the key properties of 9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-3,6-diphenylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-phenylcarbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-phenylcarbazole?
9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-3,6-diphenylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-phenylcarbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-phenylcarbazole has a molecular weight of 3340.32 g/mol, XLogP of 62.33, 23 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-3,6-diphenylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-phenylcarbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-phenylcarbazole is sourced from PubChem (CID 158886325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).