3-[4-[4-(2,6-dipyridin-3-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole

C48H31N7 — CID 164843356

About 3-[4-[4-(2,6-dipyridin-3-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole

3-[4-[4-(2,6-dipyridin-3-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole (PubChem CID 164843356) has the molecular formula C48H31N7 and a molecular weight of 705.83 g/mol. Its IUPAC name is 3-[4-[4-(2,6-dipyridin-3-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[4-[4-(2,6-dipyridin-3-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
• PubChem CID: 164843356
• Molecular Formula: C48H31N7
• Molecular Weight: 705.83 g/mol
• Exact Mass: 705.26
• IUPAC Name: 3-[4-[4-(2,6-dipyridin-3-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc(-c3cc(-c4cccnc4)nc(-c4cccnc4)c3)n2)cc1
• InChI: InChI=1S/C48H31N7/c1-3-11-33(12-4-1)46-52-47(54-48(53-46)38-28-42(36-13-9-25-49-30-36)51-43(29-38)37-14-10-26-50-31-37)34-21-19-32(20-22-34)35-23-24-45-41(27-35)40-17-7-8-18-44(40)55(45)39-15-5-2-6-16-39/h1-31H
• InChIKey: AYXHBRUHSKIXBO-UHFFFAOYSA-N
• XLogP: 11.16
• TPSA: 82.27 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.83
LogP ≤ 5	11.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[4-[4-(2,6-dipyridin-3-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole (CID 164843356) is 3-[4-[4-(2,6-dipyridin-3-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole.

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

The canonical SMILES for 3-[4-[4-(2,6-dipyridin-3-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc(-c3cc(-c4cccnc4)nc(-c4cccnc4)c3)n2)cc1.

What is the InChIKey of 3-[4-[4-(2,6-dipyridin-3-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole?

The InChIKey is AYXHBRUHSKIXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N7/c1-3-11-33(12-4-1)46-52-47(54-48(53-46)38-28-42(36-13-9-25-49-30-36)51-43(29-38)37-14-10-26-50-31-37)34-21-19-32(20-22-34)35-23-24-45-41(27-35)40-17-7-8-18-44(40)55(45)39-15-5-2-6-16-39/h1-31H.

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

3-[4-[4-(2,6-dipyridin-3-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole has a molecular weight of 705.83 g/mol, XLogP of 11.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-(2,6-dipyridin-3-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 164843356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).