2-[9-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole

C133H85N17 — CID 159241409

About 2-[9-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole

2-[9-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole (PubChem CID 159241409) has the molecular formula C133H85N17 and a molecular weight of 1921.26 g/mol. Its IUPAC name is 2-[9-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole.

Molecular Properties

• Compound Name: 2-[9-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole
• PubChem CID: 159241409
• Molecular Formula: C133H85N17
• Molecular Weight: 1921.26 g/mol
• Exact Mass: 1919.72
• IUPAC Name: 2-[9-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole
• SMILES: c1ccc(-c2nc(-c3ccccn3)cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccncc3)cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)n2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccncc5)nc(-c5ccncc5)n4)cc32)cc1
• InChI: InChI=1S/2C45H29N5.C43H27N7/c1-3-13-30(14-4-1)45-47-39(38-19-11-12-26-46-38)29-44(48-45)50-41-21-10-8-18-35(41)37-27-31(23-25-42(37)50)32-22-24-36-34-17-7-9-20-40(34)49(43(36)28-32)33-15-5-2-6-16-33;1-3-11-31(12-4-1)45-47-39(30-23-25-46-26-24-30)29-44(48-45)50-41-18-10-8-16-36(41)38-27-32(20-22-42(38)50)33-19-21-37-35-15-7-9-17-40(35)49(43(37)28-33)34-13-5-2-6-14-34;1-2-8-32(9-3-1)49-37-12-6-4-10-33(37)35-16-14-31(27-40(35)49)30-15-17-39-36(26-30)34-11-5-7-13-38(34)50(39)43-47-41(28-18-22-44-23-19-28)46-42(48-43)29-20-24-45-25-21-29/h2*1-29H;1-27H
• InChIKey: KUDKJTHIYSKJOO-UHFFFAOYSA-N
• XLogP: 31.99
• TPSA: 171.37 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1921.26
LogP ≤ 5	31.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole?

The IUPAC name of 2-[9-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole (CID 159241409) is 2-[9-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole.

What is the SMILES notation for 2-[9-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole?

The canonical SMILES for 2-[9-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole is c1ccc(-c2nc(-c3ccccn3)cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccncc3)cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)n2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccncc5)nc(-c5ccncc5)n4)cc32)cc1.

What is the InChIKey of 2-[9-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole?

The InChIKey is KUDKJTHIYSKJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H29N5.C43H27N7/c1-3-13-30(14-4-1)45-47-39(38-19-11-12-26-46-38)29-44(48-45)50-41-21-10-8-18-35(41)37-27-31(23-25-42(37)50)32-22-24-36-34-17-7-9-20-40(34)49(43(36)28-32)33-15-5-2-6-16-33;1-3-11-31(12-4-1)45-47-39(30-23-25-46-26-24-30)29-44(48-45)50-41-18-10-8-16-36(41)38-27-32(20-22-42(38)50)33-19-21-37-35-15-7-9-17-40(35)49(43(37)28-33)34-13-5-2-6-14-34;1-2-8-32(9-3-1)49-37-12-6-4-10-33(37)35-16-14-31(27-40(35)49)30-15-17-39-36(26-30)34-11-5-7-13-38(34)50(39)43-47-41(28-18-22-44-23-19-28)46-42(48-43)29-20-24-45-25-21-29/h2*1-29H;1-27H.

What are the key properties of 2-[9-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole?

2-[9-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole has a molecular weight of 1921.26 g/mol, XLogP of 31.99, 15 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole is sourced from PubChem (CID 159241409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).