1-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole;1-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole

C103H67N9 — CID 158026928

About 1-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole;1-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole

1-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole;1-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole (PubChem CID 158026928) has the molecular formula C103H67N9 and a molecular weight of 1430.73 g/mol. Its IUPAC name is 1-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole;1-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 1-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole;1-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
• PubChem CID: 158026928
• Molecular Formula: C103H67N9
• Molecular Weight: 1430.73 g/mol
• Exact Mass: 1429.55
• IUPAC Name: 1-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole;1-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cccc54)c3)n2)cc1
• InChI: InChI=1S/C52H34N4.C51H33N5/c1-4-16-35(17-5-1)45-34-46(54-52(53-45)37-18-6-2-7-19-37)36-30-32-39(33-31-36)55-48-28-13-11-23-44(48)50-41(24-15-29-49(50)55)43-26-14-25-42-40-22-10-12-27-47(40)56(51(42)43)38-20-8-3-9-21-38;1-4-17-34(18-5-1)49-52-50(35-19-6-2-7-20-35)54-51(53-49)36-21-14-24-38(33-36)55-45-31-13-11-26-43(45)47-40(27-16-32-46(47)55)42-29-15-28-41-39-25-10-12-30-44(39)56(48(41)42)37-22-8-3-9-23-37/h1-34H;1-33H
• InChIKey: FGSDURFXEVGMGI-UHFFFAOYSA-N
• XLogP: 26.07
• TPSA: 84.17 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1430.73
LogP ≤ 5	26.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 1-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole;1-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole (CID 158026928) is 1-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole;1-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole.

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

The canonical SMILES for 1-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole;1-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cccc54)c3)n2)cc1.

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

The InChIKey is FGSDURFXEVGMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4.C51H33N5/c1-4-16-35(17-5-1)45-34-46(54-52(53-45)37-18-6-2-7-19-37)36-30-32-39(33-31-36)55-48-28-13-11-23-44(48)50-41(24-15-29-49(50)55)43-26-14-25-42-40-22-10-12-27-47(40)56(51(42)43)38-20-8-3-9-21-38;1-4-17-34(18-5-1)49-52-50(35-19-6-2-7-20-35)54-51(53-49)36-21-14-24-38(33-36)55-45-31-13-11-26-43(45)47-40(27-16-32-46(47)55)42-29-15-28-41-39-25-10-12-30-44(39)56(48(41)42)37-22-8-3-9-23-37/h1-34H;1-33H.

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

1-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole;1-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole has a molecular weight of 1430.73 g/mol, XLogP of 26.07, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole;1-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 158026928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).