2-[5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[4-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole;9-phenyl-2-[1-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]carbazole;2-[1-phenyl-5-(9-pyridin-3-ylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-pyridin-3-ylcarbazole

C300H194N42 — CID 157097871

About 2-[5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[4-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole;9-phenyl-2-[1-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]carbazole;2-[1-phenyl-5-(9-pyridin-3-ylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-pyridin-3-ylcarbazole

2-[5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[4-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole;9-phenyl-2-[1-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]carbazole;2-[1-phenyl-5-(9-pyridin-3-ylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-pyridin-3-ylcarbazole (PubChem CID 157097871) has the molecular formula C300H194N42 and a molecular weight of 4387.15 g/mol. Its IUPAC name is 2-[5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[4-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole;9-phenyl-2-[1-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]carbazole;2-[1-phenyl-5-(9-pyridin-3-ylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-pyridin-3-ylcarbazole.

Molecular Properties

• Compound Name: 2-[5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[4-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole;9-phenyl-2-[1-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]carbazole;2-[1-phenyl-5-(9-pyridin-3-ylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-pyridin-3-ylcarbazole
• PubChem CID: 157097871
• Molecular Formula: C300H194N42
• Molecular Weight: 4387.15 g/mol
• Exact Mass: 4383.65
• IUPAC Name: 2-[5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[4-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole;9-phenyl-2-[1-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]carbazole;2-[1-phenyl-5-(9-pyridin-3-ylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-pyridin-3-ylcarbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5nnc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)n5-c5ccccc5)cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6nnc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)n6-c6ccccc6)cc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5nnc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)n5-c5ccccc5)cc43)n2)cc1.c1ccc(-n2c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nnc2-c2ccc3c4ccccc4n(-c4cccc(-c5cccnc5)n4)c3c2)cc1.c1ccc(-n2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(-n2nc(-c3ccc4c5ccccc5n(-c5cccnc5)c4c3)nc2-c2ccc3c4ccccc4n(-c4cccnc4)c3c2)cc1
• InChI: InChI=1S/C59H38N8.C54H35N7.C53H34N8.C48H31N7.C44H29N5.C42H27N7/c1-5-18-39(19-6-1)55-60-56(40-20-7-2-8-21-40)62-57(61-55)41-22-17-27-46(36-41)66-52-31-16-14-29-48(52)50-35-33-43(38-54(50)66)59-64-63-58(67(59)45-25-11-4-12-26-45)42-32-34-49-47-28-13-15-30-51(47)65(53(49)37-42)44-23-9-3-10-24-44;1-5-17-36(18-6-1)46-35-47(37-19-7-2-8-20-37)56-54(55-46)61-49-28-16-14-26-43(49)45-32-30-39(34-51(45)61)53-58-57-52(60(53)41-23-11-4-12-24-41)38-29-31-44-42-25-13-15-27-48(42)59(50(44)33-38)40-21-9-3-10-22-40;1-5-17-35(18-6-1)49-54-50(36-19-7-2-8-20-36)56-53(55-49)61-46-28-16-14-26-42(46)44-32-30-38(34-48(44)61)52-58-57-51(60(52)40-23-11-4-12-24-40)37-29-31-43-41-25-13-15-27-45(41)59(47(43)33-37)39-21-9-3-10-22-39;1-3-14-35(15-4-1)53-42-21-9-7-18-37(42)39-26-24-32(29-44(39)53)47-51-52-48(54(47)36-16-5-2-6-17-36)33-25-27-40-38-19-8-10-22-43(38)55(45(40)30-33)46-23-11-20-41(50-46)34-13-12-28-49-31-34;1-4-14-32(15-5-1)47-39-22-12-10-20-35(39)37-26-24-30(28-41(37)47)43-45-44(49(46-43)34-18-8-3-9-19-34)31-25-27-38-36-21-11-13-23-40(36)48(42(38)29-31)33-16-6-2-7-17-33;1-2-10-30(11-3-1)49-42(29-19-21-36-34-15-5-7-17-38(34)48(40(36)25-29)32-13-9-23-44-27-32)45-41(46-49)28-18-20-35-33-14-4-6-16-37(33)47(39(35)24-28)31-12-8-22-43-26-31/h1-38H;1-35H;1-34H;1-31H;1-29H;1-27H
• InChIKey: AFKMRFZVZXFAHC-UHFFFAOYSA-N
• XLogP: 70.85
• TPSA: 398.10 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 38
• Heavy Atoms: 342
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4387.15
LogP ≤ 5	70.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 2-[5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[4-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole;9-phenyl-2-[1-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]carbazole;2-[1-phenyl-5-(9-pyridin-3-ylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-pyridin-3-ylcarbazole?

The IUPAC name of 2-[5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[4-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole;9-phenyl-2-[1-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]carbazole;2-[1-phenyl-5-(9-pyridin-3-ylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-pyridin-3-ylcarbazole (CID 157097871) is 2-[5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[4-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole;9-phenyl-2-[1-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]carbazole;2-[1-phenyl-5-(9-pyridin-3-ylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-pyridin-3-ylcarbazole.

What is the SMILES notation for 2-[5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[4-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole;9-phenyl-2-[1-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]carbazole;2-[1-phenyl-5-(9-pyridin-3-ylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-pyridin-3-ylcarbazole?

The canonical SMILES for 2-[5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[4-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole;9-phenyl-2-[1-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]carbazole;2-[1-phenyl-5-(9-pyridin-3-ylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-pyridin-3-ylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5nnc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)n5-c5ccccc5)cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6nnc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)n6-c6ccccc6)cc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5nnc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)n5-c5ccccc5)cc43)n2)cc1.c1ccc(-n2c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nnc2-c2ccc3c4ccccc4n(-c4cccc(-c5cccnc5)n4)c3c2)cc1.c1ccc(-n2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(-n2nc(-c3ccc4c5ccccc5n(-c5cccnc5)c4c3)nc2-c2ccc3c4ccccc4n(-c4cccnc4)c3c2)cc1.

What is the InChIKey of 2-[5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[4-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole;9-phenyl-2-[1-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]carbazole;2-[1-phenyl-5-(9-pyridin-3-ylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-pyridin-3-ylcarbazole?

The InChIKey is AFKMRFZVZXFAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N8.C54H35N7.C53H34N8.C48H31N7.C44H29N5.C42H27N7/c1-5-18-39(19-6-1)55-60-56(40-20-7-2-8-21-40)62-57(61-55)41-22-17-27-46(36-41)66-52-31-16-14-29-48(52)50-35-33-43(38-54(50)66)59-64-63-58(67(59)45-25-11-4-12-26-45)42-32-34-49-47-28-13-15-30-51(47)65(53(49)37-42)44-23-9-3-10-24-44;1-5-17-36(18-6-1)46-35-47(37-19-7-2-8-20-37)56-54(55-46)61-49-28-16-14-26-43(49)45-32-30-39(34-51(45)61)53-58-57-52(60(53)41-23-11-4-12-24-41)38-29-31-44-42-25-13-15-27-48(42)59(50(44)33-38)40-21-9-3-10-22-40;1-5-17-35(18-6-1)49-54-50(36-19-7-2-8-20-36)56-53(55-49)61-46-28-16-14-26-42(46)44-32-30-38(34-48(44)61)52-58-57-51(60(52)40-23-11-4-12-24-40)37-29-31-43-41-25-13-15-27-45(41)59(47(43)33-37)39-21-9-3-10-22-39;1-3-14-35(15-4-1)53-42-21-9-7-18-37(42)39-26-24-32(29-44(39)53)47-51-52-48(54(47)36-16-5-2-6-17-36)33-25-27-40-38-19-8-10-22-43(38)55(45(40)30-33)46-23-11-20-41(50-46)34-13-12-28-49-31-34;1-4-14-32(15-5-1)47-39-22-12-10-20-35(39)37-26-24-30(28-41(37)47)43-45-44(49(46-43)34-18-8-3-9-19-34)31-25-27-38-36-21-11-13-23-40(36)48(42(38)29-31)33-16-6-2-7-17-33;1-2-10-30(11-3-1)49-42(29-19-21-36-34-15-5-7-17-38(34)48(40(36)25-29)32-13-9-23-44-27-32)45-41(46-49)28-18-20-35-33-14-4-6-16-37(33)47(39(35)24-28)31-12-8-22-43-26-31/h1-38H;1-35H;1-34H;1-31H;1-29H;1-27H.

What are the key properties of 2-[5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[4-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole;9-phenyl-2-[1-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]carbazole;2-[1-phenyl-5-(9-pyridin-3-ylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-pyridin-3-ylcarbazole?

2-[5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[4-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole;9-phenyl-2-[1-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]carbazole;2-[1-phenyl-5-(9-pyridin-3-ylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-pyridin-3-ylcarbazole has a molecular weight of 4387.15 g/mol, XLogP of 70.85, 38 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;2-[4-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole;9-phenyl-2-[1-phenyl-5-(9-phenylcarbazol-2-yl)-1,2,4-triazol-3-yl]carbazole;2-[1-phenyl-5-(9-pyridin-3-ylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-pyridin-3-ylcarbazole is sourced from PubChem (CID 157097871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).