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

C93H66N8 — CID 159515850

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

5-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,9-diphenylcarbazole (PubChem CID 159515850) has the molecular formula C93H66N8 and a molecular weight of 1295.61 g/mol. Its IUPAC name is 5-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,9-diphenylcarbazole.

Molecular Properties

• Compound Name: 5-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,9-diphenylcarbazole
• PubChem CID: 159515850
• Molecular Formula: C93H66N8
• Molecular Weight: 1295.61 g/mol
• Exact Mass: 1294.54
• IUPAC Name: 5-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,9-diphenylcarbazole
• SMILES: Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cccc(-c4cccc5c4c4cc(-c6ccccc6)ccc4n5-c4ccccc4)c3)n2)cc1.Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cccc2c1c1cc(-c3ccccc3)ccc1n2-c1ccccc1
• InChI: InChI=1S/C47H34N4.C46H32N4/c1-31-19-23-34(24-20-31)45-48-46(35-25-21-32(2)22-26-35)50-47(49-45)38-14-9-13-37(29-38)40-17-10-18-43-44(40)41-30-36(33-11-5-3-6-12-33)27-28-42(41)51(43)39-15-7-4-8-16-39;1-31-25-26-36(46-48-44(33-17-8-3-9-18-33)47-45(49-46)34-19-10-4-11-20-34)30-39(31)38-23-14-24-42-43(38)40-29-35(32-15-6-2-7-16-32)27-28-41(40)50(42)37-21-12-5-13-22-37/h3-30H,1-2H3;2-30H,1H3
• InChIKey: MBEMUMWVGIJVNJ-UHFFFAOYSA-N
• XLogP: 23.53
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1295.61
LogP ≤ 5	23.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,9-diphenylcarbazole (CID 159515850) is 5-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,9-diphenylcarbazole.

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

The canonical SMILES for 5-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,9-diphenylcarbazole is Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cccc(-c4cccc5c4c4cc(-c6ccccc6)ccc4n5-c4ccccc4)c3)n2)cc1.Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cccc2c1c1cc(-c3ccccc3)ccc1n2-c1ccccc1.

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

The InChIKey is MBEMUMWVGIJVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N4.C46H32N4/c1-31-19-23-34(24-20-31)45-48-46(35-25-21-32(2)22-26-35)50-47(49-45)38-14-9-13-37(29-38)40-17-10-18-43-44(40)41-30-36(33-11-5-3-6-12-33)27-28-42(41)51(43)39-15-7-4-8-16-39;1-31-25-26-36(46-48-44(33-17-8-3-9-18-33)47-45(49-46)34-19-10-4-11-20-34)30-39(31)38-23-14-24-42-43(38)40-29-35(32-15-6-2-7-16-32)27-28-41(40)50(42)37-21-12-5-13-22-37/h3-30H,1-2H3;2-30H,1H3.

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

5-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,9-diphenylcarbazole has a molecular weight of 1295.61 g/mol, XLogP of 23.53, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,9-diphenylcarbazole is sourced from PubChem (CID 159515850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).