3-(9H-carbazol-3-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]-3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]carbazole

C105H65N19 — CID 160627563

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

3-(9H-carbazol-3-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]-3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]carbazole (PubChem CID 160627563) has the molecular formula C105H65N19 and a molecular weight of 1592.81 g/mol. Its IUPAC name is 3-(9H-carbazol-3-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]-3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]carbazole.

Molecular Properties

• Compound Name: 3-(9H-carbazol-3-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]-3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]carbazole
• PubChem CID: 160627563
• Molecular Formula: C105H65N19
• Molecular Weight: 1592.81 g/mol
• Exact Mass: 1591.57
• IUPAC Name: 3-(9H-carbazol-3-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]-3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ncc(-n4c5ccccc5c5cc(-c6ccc7[nH]c8ccccc8c7c6)ccc54)cn3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ncc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cnc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)nc6)ccc54)cn3)n2)cc1
• InChI: InChI=1S/C62H38N12.C43H27N7/c1-5-17-39(18-6-1)55-67-56(40-19-7-2-8-20-40)70-61(69-55)59-63-35-45(36-64-59)73-51-27-15-13-25-47(51)49-33-43(29-31-53(49)73)44-30-32-54-50(34-44)48-26-14-16-28-52(48)74(54)46-37-65-60(66-38-46)62-71-57(41-21-9-3-10-22-41)68-58(72-62)42-23-11-4-12-24-42;1-3-11-27(12-4-1)40-47-41(28-13-5-2-6-14-28)49-43(48-40)42-44-25-31(26-45-42)50-38-18-10-8-16-33(38)35-24-30(20-22-39(35)50)29-19-21-37-34(23-29)32-15-7-9-17-36(32)46-37/h1-38H;1-26,46H
• InChIKey: RHMUNXSLXBXEHS-UHFFFAOYSA-N
• XLogP: 23.56
• TPSA: 223.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1592.81
LogP ≤ 5	23.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

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

The IUPAC name of 3-(9H-carbazol-3-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]-3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]carbazole (CID 160627563) is 3-(9H-carbazol-3-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]-3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]carbazole.

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

The canonical SMILES for 3-(9H-carbazol-3-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]-3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ncc(-n4c5ccccc5c5cc(-c6ccc7[nH]c8ccccc8c7c6)ccc54)cn3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ncc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cnc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)nc6)ccc54)cn3)n2)cc1.

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

The InChIKey is RHMUNXSLXBXEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N12.C43H27N7/c1-5-17-39(18-6-1)55-67-56(40-19-7-2-8-20-40)70-61(69-55)59-63-35-45(36-64-59)73-51-27-15-13-25-47(51)49-33-43(29-31-53(49)73)44-30-32-54-50(34-44)48-26-14-16-28-52(48)74(54)46-37-65-60(66-38-46)62-71-57(41-21-9-3-10-22-41)68-58(72-62)42-23-11-4-12-24-42;1-3-11-27(12-4-1)40-47-41(28-13-5-2-6-14-28)49-43(48-40)42-44-25-31(26-45-42)50-38-18-10-8-16-33(38)35-24-30(20-22-39(35)50)29-19-21-37-34(23-29)32-15-7-9-17-36(32)46-37/h1-38H;1-26,46H.

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

3-(9H-carbazol-3-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]-3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]carbazole has a molecular weight of 1592.81 g/mol, XLogP of 23.56, 14 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9H-carbazol-3-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]-3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]carbazole is sourced from PubChem (CID 160627563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).