9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;3-[3-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile

C230H199F3N24 — CID 159051590

IUPAC9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;3-[3-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc(C#N)c2)cc1-c1ccc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-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)c1.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccc(-c2cccc(C#N)c2)cc1-c1ccc(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c(-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)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc(C#N)c2)cc1-c1ccc(-n2c3ccccc3c3cc(C#N)ccc32)c(-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)c1
InChIInChI=1S/C78H64N10.C76H69F3N6.C76H66N8/c1-75(2,3)54-33-52(34-55(39-54)76(4,5)6)72-84-73(53-35-56(77(7,8)9)40-57(36-53)78(10,11)12)86-74(85-72)65-38-51(21-27-71(65)88-67-24-18-47(44-80)31-61(67)62-32-48(45-81)19-25-68(62)88)60-37-50(49-17-15-16-46(30-49)43-79)20-26-66(60)87-69-28-22-58(82-13)41-63(69)64-42-59(83-14)23-29-70(64)87;1-45-25-29-66-60(33-45)57-21-14-16-23-63(57)84(66)65-30-26-48(47-20-18-19-46(34-47)44-80)39-59(65)49-27-31-68(85-64-24-17-15-22-58(64)61-43-52(76(77,78)79)28-32-67(61)85)62(40-49)71-82-69(50-35-53(72(2,3)4)41-54(36-50)73(5,6)7)81-70(83-71)51-37-55(74(8,9)10)42-56(38-51)75(11,12)13;1-73(2,3)53-35-51(36-54(41-53)74(4,5)6)70-80-71(52-37-55(75(7,8)9)42-56(38-52)76(10,11)12)82-72(81-70)63-40-50(27-31-69(63)84-64-23-16-14-21-58(64)61-34-47(45-78)25-29-67(61)84)60-39-49(48-20-18-19-46(33-48)44-77)26-30-66(60)83-65-24-17-15-22-59(65)62-43-57(79-13)28-32-68(62)83/h15-42H,1-12H3;14-43H,1-13H3;14-43H,1-12H3
InChIKeyJXIHKWARRDJHIM-UHFFFAOYSA-N
MW3356.28 g/mol
LogP60.98
Rot. Bonds21

About 9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;3-[3-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile

9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;3-[3-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile (PubChem CID 159051590) has the molecular formula C230H199F3N24 and a molecular weight of 3356.28 g/mol. Its IUPAC name is 9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;3-[3-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;3-[3-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile
PubChem CID159051590
Molecular FormulaC230H199F3N24
Molecular Weight3356.28 g/mol
Exact Mass3353.63
IUPAC Name9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;3-[3-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc(C#N)c2)cc1-c1ccc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-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)c1.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccc(-c2cccc(C#N)c2)cc1-c1ccc(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c(-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)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc(C#N)c2)cc1-c1ccc(-n2c3ccccc3c3cc(C#N)ccc32)c(-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)c1
InChIInChI=1S/C78H64N10.C76H69F3N6.C76H66N8/c1-75(2,3)54-33-52(34-55(39-54)76(4,5)6)72-84-73(53-35-56(77(7,8)9)40-57(36-53)78(10,11)12)86-74(85-72)65-38-51(21-27-71(65)88-67-24-18-47(44-80)31-61(67)62-32-48(45-81)19-25-68(62)88)60-37-50(49-17-15-16-46(30-49)43-79)20-26-66(60)87-69-28-22-58(82-13)41-63(69)64-42-59(83-14)23-29-70(64)87;1-45-25-29-66-60(33-45)57-21-14-16-23-63(57)84(66)65-30-26-48(47-20-18-19-46(34-47)44-80)39-59(65)49-27-31-68(85-64-24-17-15-22-58(64)61-43-52(76(77,78)79)28-32-67(61)85)62(40-49)71-82-69(50-35-53(72(2,3)4)41-54(36-50)73(5,6)7)81-70(83-71)51-37-55(74(8,9)10)42-56(38-51)75(11,12)13;1-73(2,3)53-35-51(36-54(41-53)74(4,5)6)70-80-71(52-37-55(75(7,8)9)42-56(38-52)76(10,11)12)82-72(81-70)63-40-50(27-31-69(63)84-64-23-16-14-21-58(64)61-34-47(45-78)25-29-67(61)84)60-39-49(48-20-18-19-46(33-48)44-77)26-30-66(60)83-65-24-17-15-22-59(65)62-43-57(79-13)28-32-68(62)83/h15-42H,1-12H3;14-43H,1-13H3;14-43H,1-12H3
InChIKeyJXIHKWARRDJHIM-UHFFFAOYSA-N
XLogP60.98
TPSA301.41 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms257
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003356.28
LogP ≤ 560.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;3-[3-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;9-[5-cyano-2-[2-(3,6-diisocyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[5-cyano-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 158525517
9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole
CID 159324327
9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-(trifluoromethyl)carbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole
CID 160667861
3-[3-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]-4-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]phenyl]benzonitrile
CID 157056972
3-[4-[5-cyano-2-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 159701387
3-[2-(3,6-ditert-butylcarbazol-9-yl)-5-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-3-(3-isocyanophenyl)phenyl]-6-[4-(3-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169035973
3-[4-carbazol-9-yl-3-[4-[4-carbazol-9-yl-3-(3-isocyanophenyl)phenyl]-6-[3-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169035863
2-[9-[2-[2-[3,6-bis(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[2-[2-[3,6-bis(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile
CID 157378710
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 162500537
9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[2-(3-tert-butylcarbazol-9-yl)-5-(3-isocyanophenyl)phenyl]phenyl]-3-tert-butylcarbazole
CID 153432037
3-[5-[2-cyano-4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3-methylcarbazol-9-yl)benzonitrile
CID 159604843
3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 146429626

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;3-[3-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile?
The IUPAC name of 9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;3-[3-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile (CID 159051590) is 9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;3-[3-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile.
What is the SMILES notation for 9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;3-[3-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile?
The canonical SMILES for 9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;3-[3-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile is Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc(C#N)c2)cc1-c1ccc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-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)c1.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccc(-c2cccc(C#N)c2)cc1-c1ccc(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c(-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)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc(C#N)c2)cc1-c1ccc(-n2c3ccccc3c3cc(C#N)ccc32)c(-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)c1.
What is the InChIKey of 9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;3-[3-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile?
The InChIKey is JXIHKWARRDJHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H64N10.C76H69F3N6.C76H66N8/c1-75(2,3)54-33-52(34-55(39-54)76(4,5)6)72-84-73(53-35-56(77(7,8)9)40-57(36-53)78(10,11)12)86-74(85-72)65-38-51(21-27-71(65)88-67-24-18-47(44-80)31-61(67)62-32-48(45-81)19-25-68(62)88)60-37-50(49-17-15-16-46(30-49)43-79)20-26-66(60)87-69-28-22-58(82-13)41-63(69)64-42-59(83-14)23-29-70(64)87;1-45-25-29-66-60(33-45)57-21-14-16-23-63(57)84(66)65-30-26-48(47-20-18-19-46(34-47)44-80)39-59(65)49-27-31-68(85-64-24-17-15-22-58(64)61-43-52(76(77,78)79)28-32-67(61)85)62(40-49)71-82-69(50-35-53(72(2,3)4)41-54(36-50)73(5,6)7)81-70(83-71)51-37-55(74(8,9)10)42-56(38-51)75(11,12)13;1-73(2,3)53-35-51(36-54(41-53)74(4,5)6)70-80-71(52-37-55(75(7,8)9)42-56(38-52)76(10,11)12)82-72(81-70)63-40-50(27-31-69(63)84-64-23-16-14-21-58(64)61-34-47(45-78)25-29-67(61)84)60-39-49(48-20-18-19-46(33-48)44-77)26-30-66(60)83-65-24-17-15-22-59(65)62-43-57(79-13)28-32-68(62)83/h15-42H,1-12H3;14-43H,1-13H3;14-43H,1-12H3.
What are the key properties of 9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;3-[3-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile?
9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;3-[3-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile has a molecular weight of 3356.28 g/mol, XLogP of 60.98, 21 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;3-[3-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile is sourced from PubChem (CID 159051590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).