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

C205H188F18N18 — CID 159738534

IUPAC9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)carbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole
SMILESCC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5cc(C(F)(F)F)ccc54)c(-c4ccncc4-n4c5ccccc5c5cc(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(C(F)(F)F)ccc54)c(-c4ccncc4-n4c5ccccc5c5ccccc54)c3)n2)cc(C(C)(C)C)c1.Cc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1cnccc1-c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)n2)ccc1-n1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C70H63F9N6.C68H62F6N6.C67H63F3N6/c1-38-14-19-55-50(26-38)52-34-42(68(71,72)73)18-23-59(52)85(55)60-37-80-25-24-49(60)51-31-39(15-20-56(51)84-57-21-16-43(69(74,75)76)35-53(57)54-36-44(70(77,78)79)17-22-58(54)84)61-81-62(40-27-45(64(2,3)4)32-46(28-40)65(5,6)7)83-63(82-61)41-29-47(66(8,9)10)33-48(30-41)67(11,12)13;1-63(2,3)44-29-40(30-45(34-44)64(4,5)6)61-76-60(77-62(78-61)41-31-46(65(7,8)9)35-47(32-41)66(10,11)12)39-21-24-56(79-54-19-15-13-17-48(54)52-36-42(67(69,70)71)22-25-57(52)79)51(33-39)50-27-28-75-38-59(50)80-55-20-16-14-18-49(55)53-37-43(68(72,73)74)23-26-58(53)80;1-63(2,3)44-31-41(32-45(36-44)64(4,5)6)61-72-60(73-62(74-61)42-33-46(65(7,8)9)37-47(34-42)66(10,11)12)40-25-27-57(75-56-24-18-15-21-50(56)53-38-43(67(68,69)70)26-28-58(53)75)52(35-40)51-29-30-71-39-59(51)76-54-22-16-13-19-48(54)49-20-14-17-23-55(49)76/h14-37H,1-13H3;13-38H,1-12H3;13-39H,1-12H3
InChIKeyNCDKBJQOOWDKNG-UHFFFAOYSA-N
MW3245.85 g/mol
LogP58.38
Rot. Bonds18

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

9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)carbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole (PubChem CID 159738534) has the molecular formula C205H188F18N18 and a molecular weight of 3245.85 g/mol. Its IUPAC name is 9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)carbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)carbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole
PubChem CID159738534
Molecular FormulaC205H188F18N18
Molecular Weight3245.85 g/mol
Exact Mass3243.50
IUPAC Name9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)carbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole
SMILESCC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5cc(C(F)(F)F)ccc54)c(-c4ccncc4-n4c5ccccc5c5cc(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(C(F)(F)F)ccc54)c(-c4ccncc4-n4c5ccccc5c5ccccc54)c3)n2)cc(C(C)(C)C)c1.Cc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1cnccc1-c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)n2)ccc1-n1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C70H63F9N6.C68H62F6N6.C67H63F3N6/c1-38-14-19-55-50(26-38)52-34-42(68(71,72)73)18-23-59(52)85(55)60-37-80-25-24-49(60)51-31-39(15-20-56(51)84-57-21-16-43(69(74,75)76)35-53(57)54-36-44(70(77,78)79)17-22-58(54)84)61-81-62(40-27-45(64(2,3)4)32-46(28-40)65(5,6)7)83-63(82-61)41-29-47(66(8,9)10)33-48(30-41)67(11,12)13;1-63(2,3)44-29-40(30-45(34-44)64(4,5)6)61-76-60(77-62(78-61)41-31-46(65(7,8)9)35-47(32-41)66(10,11)12)39-21-24-56(79-54-19-15-13-17-48(54)52-36-42(67(69,70)71)22-25-57(52)79)51(33-39)50-27-28-75-38-59(50)80-55-20-16-14-18-49(55)53-37-43(68(72,73)74)23-26-58(53)80;1-63(2,3)44-31-41(32-45(36-44)64(4,5)6)61-72-60(73-62(74-61)42-33-46(65(7,8)9)37-47(34-42)66(10,11)12)40-25-27-57(75-56-24-18-15-21-50(56)53-38-43(67(68,69)70)26-28-58(53)75)52(35-40)51-29-30-71-39-59(51)76-54-22-16-13-19-48(54)49-20-14-17-23-55(49)76/h14-37H,1-13H3;13-38H,1-12H3;13-39H,1-12H3
InChIKeyNCDKBJQOOWDKNG-UHFFFAOYSA-N
XLogP58.38
TPSA184.26 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003245.85
LogP ≤ 558.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)carbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole?
The IUPAC name of 9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)carbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole (CID 159738534) is 9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)carbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)carbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole?
The canonical SMILES for 9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)carbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole is CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5cc(C(F)(F)F)ccc54)c(-c4ccncc4-n4c5ccccc5c5cc(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(C(F)(F)F)ccc54)c(-c4ccncc4-n4c5ccccc5c5ccccc54)c3)n2)cc(C(C)(C)C)c1.Cc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1cnccc1-c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)n2)ccc1-n1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)carbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole?
The InChIKey is NCDKBJQOOWDKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H63F9N6.C68H62F6N6.C67H63F3N6/c1-38-14-19-55-50(26-38)52-34-42(68(71,72)73)18-23-59(52)85(55)60-37-80-25-24-49(60)51-31-39(15-20-56(51)84-57-21-16-43(69(74,75)76)35-53(57)54-36-44(70(77,78)79)17-22-58(54)84)61-81-62(40-27-45(64(2,3)4)32-46(28-40)65(5,6)7)83-63(82-61)41-29-47(66(8,9)10)33-48(30-41)67(11,12)13;1-63(2,3)44-29-40(30-45(34-44)64(4,5)6)61-76-60(77-62(78-61)41-31-46(65(7,8)9)35-47(32-41)66(10,11)12)39-21-24-56(79-54-19-15-13-17-48(54)52-36-42(67(69,70)71)22-25-57(52)79)51(33-39)50-27-28-75-38-59(50)80-55-20-16-14-18-49(55)53-37-43(68(72,73)74)23-26-58(53)80;1-63(2,3)44-31-41(32-45(36-44)64(4,5)6)61-72-60(73-62(74-61)42-33-46(65(7,8)9)37-47(34-42)66(10,11)12)40-25-27-57(75-56-24-18-15-21-50(56)53-38-43(67(68,69)70)26-28-58(53)75)52(35-40)51-29-30-71-39-59(51)76-54-22-16-13-19-48(54)49-20-14-17-23-55(49)76/h14-37H,1-13H3;13-38H,1-12H3;13-39H,1-12H3.
What are the key properties of 9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)carbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole?
9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)carbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole has a molecular weight of 3245.85 g/mol, XLogP of 58.38, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)carbazole;9-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole is sourced from PubChem (CID 159738534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).