9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylphenyl]carbazole;9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-9-ylphenyl]carbazole

C114H72N10 — CID 160804396

About 9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylphenyl]carbazole;9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-9-ylphenyl]carbazole

9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylphenyl]carbazole;9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-9-ylphenyl]carbazole (PubChem CID 160804396) has the molecular formula C114H72N10 and a molecular weight of 1581.90 g/mol. Its IUPAC name is 9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylphenyl]carbazole;9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-9-ylphenyl]carbazole.

Molecular Properties

• Compound Name: 9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylphenyl]carbazole;9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-9-ylphenyl]carbazole
• PubChem CID: 160804396
• Molecular Formula: C114H72N10
• Molecular Weight: 1581.90 g/mol
• Exact Mass: 1580.59
• IUPAC Name: 9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylphenyl]carbazole;9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-9-ylphenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c3-c3cc4ccccc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c3-c3cccc4ccccc34)n2)cc1
• InChI: InChI=1S/C59H37N5.C55H35N5/c1-3-19-38(20-4-1)57-60-58(39-21-5-2-6-22-39)62-59(61-57)48-35-36-54(63-50-31-15-11-27-44(50)45-28-12-16-32-51(45)63)56(64-52-33-17-13-29-46(52)47-30-14-18-34-53(47)64)55(48)49-37-40-23-7-8-24-41(40)42-25-9-10-26-43(42)49;1-3-19-37(20-4-1)53-56-54(38-21-5-2-6-22-38)58-55(57-53)45-34-35-50(59-46-30-13-9-25-40(46)41-26-10-14-31-47(41)59)52(51(45)44-29-17-23-36-18-7-8-24-39(36)44)60-48-32-15-11-27-42(48)43-28-12-16-33-49(43)60/h1-37H;1-35H
• InChIKey: SDMOQLBIBVNDPY-UHFFFAOYSA-N
• XLogP: 28.93
• TPSA: 97.06 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1581.90
LogP ≤ 5	28.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylphenyl]carbazole;9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-9-ylphenyl]carbazole (CID 160804396) is 9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylphenyl]carbazole;9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-9-ylphenyl]carbazole.

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

The canonical SMILES for 9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylphenyl]carbazole;9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-9-ylphenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c3-c3cc4ccccc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c3-c3cccc4ccccc34)n2)cc1.

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

The InChIKey is SDMOQLBIBVNDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N5.C55H35N5/c1-3-19-38(20-4-1)57-60-58(39-21-5-2-6-22-39)62-59(61-57)48-35-36-54(63-50-31-15-11-27-44(50)45-28-12-16-32-51(45)63)56(64-52-33-17-13-29-46(52)47-30-14-18-34-53(47)64)55(48)49-37-40-23-7-8-24-41(40)42-25-9-10-26-43(42)49;1-3-19-37(20-4-1)53-56-54(38-21-5-2-6-22-38)58-55(57-53)45-34-35-50(59-46-30-13-9-25-40(46)41-26-10-14-31-47(41)59)52(51(45)44-29-17-23-36-18-7-8-24-39(36)44)60-48-32-15-11-27-42(48)43-28-12-16-33-49(43)60/h1-37H;1-35H.

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

9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylphenyl]carbazole;9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-9-ylphenyl]carbazole has a molecular weight of 1581.90 g/mol, XLogP of 28.93, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylphenyl]carbazole;9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-9-ylphenyl]carbazole is sourced from PubChem (CID 160804396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).