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

C106H66N18 — CID 157051158

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

3-(9H-carbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole (PubChem CID 157051158) has the molecular formula C106H66N18 and a molecular weight of 1591.82 g/mol. Its IUPAC name is 3-(9H-carbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole.

Molecular Properties

• Compound Name: 3-(9H-carbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
• PubChem CID: 157051158
• Molecular Formula: C106H66N18
• Molecular Weight: 1591.82 g/mol
• Exact Mass: 1590.57
• IUPAC Name: 3-(9H-carbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3cccnc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7[nH]c8ccccc8c7c6)ccc54)c3)n2)cc1.c1cncc(-c2nc(-c3cccnc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7nc(-c8cccnc8)nc(-c8cccnc8)n7)c6)ccc54)c3)n2)c1
• InChI: InChI=1S/C62H38N12.C44H28N6/c1-3-21-53-49(19-1)51-33-39(23-25-55(51)73(53)47-17-5-11-41(31-47)57-67-59(43-13-7-27-63-35-43)71-60(68-57)44-14-8-28-64-36-44)40-24-26-56-52(34-40)50-20-2-4-22-54(50)74(56)48-18-6-12-42(32-48)58-69-61(45-15-9-29-65-37-45)72-62(70-58)46-16-10-30-66-38-46;1-2-10-28(11-3-1)42-47-43(49-44(48-42)32-13-9-23-45-27-32)31-12-8-14-33(24-31)50-40-18-7-5-16-35(40)37-26-30(20-22-41(37)50)29-19-21-39-36(25-29)34-15-4-6-17-38(34)46-39/h1-38H;1-27,46H
• InChIKey: AAFJUKNHOOZENI-UHFFFAOYSA-N
• XLogP: 24.17
• TPSA: 211.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1591.82
LogP ≤ 5	24.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of 3-(9H-carbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole (CID 157051158) is 3-(9H-carbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole.

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

The canonical SMILES for 3-(9H-carbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole is c1ccc(-c2nc(-c3cccnc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7[nH]c8ccccc8c7c6)ccc54)c3)n2)cc1.c1cncc(-c2nc(-c3cccnc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7nc(-c8cccnc8)nc(-c8cccnc8)n7)c6)ccc54)c3)n2)c1.

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

The InChIKey is AAFJUKNHOOZENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N12.C44H28N6/c1-3-21-53-49(19-1)51-33-39(23-25-55(51)73(53)47-17-5-11-41(31-47)57-67-59(43-13-7-27-63-35-43)71-60(68-57)44-14-8-28-64-36-44)40-24-26-56-52(34-40)50-20-2-4-22-54(50)74(56)48-18-6-12-42(32-48)58-69-61(45-15-9-29-65-37-45)72-62(70-58)46-16-10-30-66-38-46;1-2-10-28(11-3-1)42-47-43(49-44(48-42)32-13-9-23-45-27-32)31-12-8-14-33(24-31)50-40-18-7-5-16-35(40)37-26-30(20-22-41(37)50)29-19-21-39-36(25-29)34-15-4-6-17-38(34)46-39/h1-38H;1-27,46H.

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

3-(9H-carbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole has a molecular weight of 1591.82 g/mol, XLogP of 24.17, 14 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9H-carbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 157051158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).