3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole

C102H62N14 — CID 159531817

About 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole

3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole (PubChem CID 159531817) has the molecular formula C102H62N14 and a molecular weight of 1483.72 g/mol. Its IUPAC name is 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole.

Molecular Properties

• Compound Name: 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole
• PubChem CID: 159531817
• Molecular Formula: C102H62N14
• Molecular Weight: 1483.72 g/mol
• Exact Mass: 1482.53
• IUPAC Name: 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccccn3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(ccc7ccccc76)c5)ccc43)n2)nc1.c1ccc(-c2nc(-c3ccccn3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccc7ccccc7c6c5)ccc43)n2)nc1
• InChI: InChI=1S/2C51H31N7/c1-2-12-37-32(11-1)19-20-35-29-36(23-24-38(35)37)57-45-17-5-3-13-39(45)41-30-33(21-25-47(41)57)34-22-26-48-42(31-34)40-14-4-6-18-46(40)58(48)51-55-49(43-15-7-9-27-52-43)54-50(56-51)44-16-8-10-28-53-44;1-2-12-37-32(11-1)19-20-33-21-24-36(31-40(33)37)57-45-17-5-3-13-38(45)41-29-34(22-25-47(41)57)35-23-26-48-42(30-35)39-14-4-6-18-46(39)58(48)51-55-49(43-15-7-9-27-52-43)54-50(56-51)44-16-8-10-28-53-44/h2*1-31H
• InChIKey: MDCAVXNGJYEKKV-UHFFFAOYSA-N
• XLogP: 24.33
• TPSA: 148.62 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1483.72
LogP ≤ 5	24.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole?

The IUPAC name of 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole (CID 159531817) is 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole.

What is the SMILES notation for 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole?

The canonical SMILES for 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole is c1ccc(-c2nc(-c3ccccn3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(ccc7ccccc76)c5)ccc43)n2)nc1.c1ccc(-c2nc(-c3ccccn3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccc7ccccc7c6c5)ccc43)n2)nc1.

What is the InChIKey of 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole?

The InChIKey is MDCAVXNGJYEKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H31N7/c1-2-12-37-32(11-1)19-20-35-29-36(23-24-38(35)37)57-45-17-5-3-13-39(45)41-30-33(21-25-47(41)57)34-22-26-48-42(31-34)40-14-4-6-18-46(40)58(48)51-55-49(43-15-7-9-27-52-43)54-50(56-51)44-16-8-10-28-53-44;1-2-12-37-32(11-1)19-20-33-21-24-36(31-40(33)37)57-45-17-5-3-13-38(45)41-29-34(22-25-47(41)57)35-23-26-48-42(30-35)39-14-4-6-18-46(39)58(48)51-55-49(43-15-7-9-27-52-43)54-50(56-51)44-16-8-10-28-53-44/h2*1-31H.

What are the key properties of 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole?

3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole has a molecular weight of 1483.72 g/mol, XLogP of 24.33, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole is sourced from PubChem (CID 159531817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).