3-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole

C60H41N7 — CID 146648799

About 3-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole

3-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole (PubChem CID 146648799) has the molecular formula C60H41N7 and a molecular weight of 860.04 g/mol. Its IUPAC name is 3-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole.

Molecular Properties

• Compound Name: 3-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
• PubChem CID: 146648799
• Molecular Formula: C60H41N7
• Molecular Weight: 860.04 g/mol
• Exact Mass: 859.34
• IUPAC Name: 3-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
• SMILES: c1ccc(C2=NC(c3ccc(-c4cc(-c5ccccc5)c5c(c4)c4ccccc4n5-c4ccccc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)=NC(c3ccccc3)N2)cc1
• InChI: InChI=1S/C60H41N7/c1-7-21-40(22-8-1)50-38-46(39-51-49-33-19-20-34-53(49)67(54(50)51)47-31-17-6-18-32-47)48-36-35-45(59-63-55(41-23-9-2-10-24-41)61-56(64-59)42-25-11-3-12-26-42)37-52(48)60-65-57(43-27-13-4-14-28-43)62-58(66-60)44-29-15-5-16-30-44/h1-39,55H,(H,61,63,64)
• InChIKey: ZZBRVORPAQUCSO-UHFFFAOYSA-N
• XLogP: 13.80
• TPSA: 80.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	860.04
LogP ≤ 5	13.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole (CID 146648799) is 3-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole.

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

The canonical SMILES for 3-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole is c1ccc(C2=NC(c3ccc(-c4cc(-c5ccccc5)c5c(c4)c4ccccc4n5-c4ccccc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)=NC(c3ccccc3)N2)cc1.

What is the InChIKey of 3-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole?

The InChIKey is ZZBRVORPAQUCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N7/c1-7-21-40(22-8-1)50-38-46(39-51-49-33-19-20-34-53(49)67(54(50)51)47-31-17-6-18-32-47)48-36-35-45(59-63-55(41-23-9-2-10-24-41)61-56(64-59)42-25-11-3-12-26-42)37-52(48)60-65-57(43-27-13-4-14-28-43)62-58(66-60)44-29-15-5-16-30-44/h1-39,55H,(H,61,63,64).

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

3-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole has a molecular weight of 860.04 g/mol, XLogP of 13.80, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole is sourced from PubChem (CID 146648799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).