3,5-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile;3,5-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile;4-(2,6-dimethyl-4-pyridinyl)-3,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile

C194H140N42 — CID 161450960

IUPAC3,5-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile;3,5-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile;4-(2,6-dimethyl-4-pyridinyl)-3,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
SMILESCc1cc(-c2c(-n3c4cc(-c5nc(C)nc(C)n5)ccc4c4ccc(-c5nc(C)nc(C)n5)cc43)cc(C#N)cc2-n2c3cc(-c4nc(C)nc(C)n4)ccc3c3ccc(-c4nc(C)nc(C)n4)cc32)cc(C)n1.Cc1cc(-c2c(-n3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)cc(C#N)cc2-n2c3ccccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)cc(C)n1.Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)n1
InChIInChI=1S/C68H50N16.C68H44N10.C58H46N16/c1-36-70-37(2)75-65(74-36)47-19-23-58-52(29-47)53-30-48(66-76-38(3)71-39(4)77-66)20-24-59(53)83(58)62-27-44(35-69)28-63(64(62)51-33-56(45-15-11-9-12-16-45)82-57(34-51)46-17-13-10-14-18-46)84-60-25-21-49(67-78-40(5)72-41(6)79-67)31-54(60)55-32-50(22-26-61(55)84)68-80-42(7)73-43(8)81-68;1-42-35-51(36-43(2)70-42)62-60(77-56-29-17-15-27-52(56)54-33-31-49(39-58(54)77)67-73-63(45-19-7-3-8-20-45)71-64(74-67)46-21-9-4-10-22-46)37-44(41-69)38-61(62)78-57-30-18-16-28-53(57)55-34-32-50(40-59(55)78)68-75-65(47-23-11-5-12-24-47)72-66(76-68)48-25-13-6-14-26-48;1-28-19-43(20-29(2)60-28)54-52(73-48-23-39(55-65-30(3)61-31(4)66-55)11-15-44(48)45-16-12-40(24-49(45)73)56-67-32(5)62-33(6)68-56)21-38(27-59)22-53(54)74-50-25-41(57-69-34(7)63-35(8)70-57)13-17-46(50)47-18-14-42(26-51(47)74)58-71-36(9)64-37(10)72-58/h9-34H,1-8H3;3-40H,1-2H3;11-26H,1-10H3
InChIKeyWANGDWTWXMTGPH-UHFFFAOYSA-N
MW3059.55 g/mol
LogP41.13
Rot. Bonds25

About 3,5-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile;3,5-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile;4-(2,6-dimethyl-4-pyridinyl)-3,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile

3,5-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile;3,5-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile;4-(2,6-dimethyl-4-pyridinyl)-3,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile (PubChem CID 161450960) has the molecular formula C194H140N42 and a molecular weight of 3059.55 g/mol. Its IUPAC name is 3,5-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile;3,5-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile;4-(2,6-dimethyl-4-pyridinyl)-3,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name3,5-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile;3,5-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile;4-(2,6-dimethyl-4-pyridinyl)-3,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
PubChem CID161450960
Molecular FormulaC194H140N42
Molecular Weight3059.55 g/mol
Exact Mass3057.22
IUPAC Name3,5-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile;3,5-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile;4-(2,6-dimethyl-4-pyridinyl)-3,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
SMILESCc1cc(-c2c(-n3c4cc(-c5nc(C)nc(C)n5)ccc4c4ccc(-c5nc(C)nc(C)n5)cc43)cc(C#N)cc2-n2c3cc(-c4nc(C)nc(C)n4)ccc3c3ccc(-c4nc(C)nc(C)n4)cc32)cc(C)n1.Cc1cc(-c2c(-n3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)cc(C#N)cc2-n2c3ccccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)cc(C)n1.Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)n1
InChIInChI=1S/C68H50N16.C68H44N10.C58H46N16/c1-36-70-37(2)75-65(74-36)47-19-23-58-52(29-47)53-30-48(66-76-38(3)71-39(4)77-66)20-24-59(53)83(58)62-27-44(35-69)28-63(64(62)51-33-56(45-15-11-9-12-16-45)82-57(34-51)46-17-13-10-14-18-46)84-60-25-21-49(67-78-40(5)72-41(6)79-67)31-54(60)55-32-50(22-26-61(55)84)68-80-42(7)73-43(8)81-68;1-42-35-51(36-43(2)70-42)62-60(77-56-29-17-15-27-52(56)54-33-31-49(39-58(54)77)67-73-63(45-19-7-3-8-20-45)71-64(74-67)46-21-9-4-10-22-46)37-44(41-69)38-61(62)78-57-30-18-16-28-53(57)55-34-32-50(40-59(55)78)68-75-65(47-23-11-5-12-24-47)72-66(76-68)48-25-13-6-14-26-48;1-28-19-43(20-29(2)60-28)54-52(73-48-23-39(55-65-30(3)61-31(4)66-55)11-15-44(48)45-16-12-40(24-49(45)73)56-67-32(5)62-33(6)68-56)21-38(27-59)22-53(54)74-50-25-41(57-69-34(7)63-35(8)70-57)13-17-46(50)47-18-14-42(26-51(47)74)58-71-36(9)64-37(10)72-58/h9-34H,1-8H3;3-40H,1-2H3;11-26H,1-10H3
InChIKeyWANGDWTWXMTGPH-UHFFFAOYSA-N
XLogP41.13
TPSA526.32 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds25
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003059.55
LogP ≤ 541.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 3,5-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile;3,5-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile;4-(2,6-dimethyl-4-pyridinyl)-3,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile with MolForge

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Related Compounds

3,5-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134293116
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 138729186
3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 161333862
3,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;3,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3,5-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile;methane
CID 159637061
2,6-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 155217683
3,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377908
4-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 134300604
4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 134508031
5-[9-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-cyano-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146847580
2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508036
3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295696
3,5-bis(2,6-diphenylpyrimidin-4-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 138555506

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile;3,5-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile;4-(2,6-dimethyl-4-pyridinyl)-3,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile?
The IUPAC name of 3,5-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile;3,5-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile;4-(2,6-dimethyl-4-pyridinyl)-3,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile (CID 161450960) is 3,5-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile;3,5-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile;4-(2,6-dimethyl-4-pyridinyl)-3,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 3,5-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile;3,5-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile;4-(2,6-dimethyl-4-pyridinyl)-3,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 3,5-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile;3,5-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile;4-(2,6-dimethyl-4-pyridinyl)-3,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile is Cc1cc(-c2c(-n3c4cc(-c5nc(C)nc(C)n5)ccc4c4ccc(-c5nc(C)nc(C)n5)cc43)cc(C#N)cc2-n2c3cc(-c4nc(C)nc(C)n4)ccc3c3ccc(-c4nc(C)nc(C)n4)cc32)cc(C)n1.Cc1cc(-c2c(-n3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)cc(C#N)cc2-n2c3ccccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)cc(C)n1.Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)n1.
What is the InChIKey of 3,5-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile;3,5-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile;4-(2,6-dimethyl-4-pyridinyl)-3,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile?
The InChIKey is WANGDWTWXMTGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H50N16.C68H44N10.C58H46N16/c1-36-70-37(2)75-65(74-36)47-19-23-58-52(29-47)53-30-48(66-76-38(3)71-39(4)77-66)20-24-59(53)83(58)62-27-44(35-69)28-63(64(62)51-33-56(45-15-11-9-12-16-45)82-57(34-51)46-17-13-10-14-18-46)84-60-25-21-49(67-78-40(5)72-41(6)79-67)31-54(60)55-32-50(22-26-61(55)84)68-80-42(7)73-43(8)81-68;1-42-35-51(36-43(2)70-42)62-60(77-56-29-17-15-27-52(56)54-33-31-49(39-58(54)77)67-73-63(45-19-7-3-8-20-45)71-64(74-67)46-21-9-4-10-22-46)37-44(41-69)38-61(62)78-57-30-18-16-28-53(57)55-34-32-50(40-59(55)78)68-75-65(47-23-11-5-12-24-47)72-66(76-68)48-25-13-6-14-26-48;1-28-19-43(20-29(2)60-28)54-52(73-48-23-39(55-65-30(3)61-31(4)66-55)11-15-44(48)45-16-12-40(24-49(45)73)56-67-32(5)62-33(6)68-56)21-38(27-59)22-53(54)74-50-25-41(57-69-34(7)63-35(8)70-57)13-17-46(50)47-18-14-42(26-51(47)74)58-71-36(9)64-37(10)72-58/h9-34H,1-8H3;3-40H,1-2H3;11-26H,1-10H3.
What are the key properties of 3,5-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile;3,5-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile;4-(2,6-dimethyl-4-pyridinyl)-3,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile?
3,5-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile;3,5-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile;4-(2,6-dimethyl-4-pyridinyl)-3,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile has a molecular weight of 3059.55 g/mol, XLogP of 41.13, 25 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile;3,5-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile;4-(2,6-dimethyl-4-pyridinyl)-3,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 161450960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).