3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole

C60H43N11 — CID 137414796

About 3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole

3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole (PubChem CID 137414796) has the molecular formula C60H43N11 and a molecular weight of 918.08 g/mol. Its IUPAC name is 3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
• PubChem CID: 137414796
• Molecular Formula: C60H43N11
• Molecular Weight: 918.08 g/mol
• Exact Mass: 917.37
• IUPAC Name: 3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
• SMILES: Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)n1
• InChI: InChI=1S/C60H43N11/c1-36-61-37(2)64-58(63-36)44-25-28-54-47(31-44)48-32-45(59-65-38(3)62-39(4)66-59)26-29-55(48)71(54)56-30-27-46(60-68-50(40-17-9-5-10-18-40)34-51(69-60)41-19-11-6-12-20-41)33-49(56)53-35-52(42-21-13-7-14-22-42)67-57(70-53)43-23-15-8-16-24-43/h5-35H,1-4H3
• InChIKey: IQJLCDUJEZXQCS-UHFFFAOYSA-N
• XLogP: 13.30
• TPSA: 133.83 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	918.08
LogP ≤ 5	13.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole?

The IUPAC name of 3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole (CID 137414796) is 3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole.

What is the SMILES notation for 3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole?

The canonical SMILES for 3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole is Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)n1.

What is the InChIKey of 3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole?

The InChIKey is IQJLCDUJEZXQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N11/c1-36-61-37(2)64-58(63-36)44-25-28-54-47(31-44)48-32-45(59-65-38(3)62-39(4)66-59)26-29-55(48)71(54)56-30-27-46(60-68-50(40-17-9-5-10-18-40)34-51(69-60)41-19-11-6-12-20-41)33-49(56)53-35-52(42-21-13-7-14-22-42)67-57(70-53)43-23-15-8-16-24-43/h5-35H,1-4H3.

What are the key properties of 3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole?

3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole has a molecular weight of 918.08 g/mol, XLogP of 13.30, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole is sourced from PubChem (CID 137414796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).