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

C106H66N10 — CID 158148776

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

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole (PubChem CID 158148776) has the molecular formula C106H66N10 and a molecular weight of 1479.76 g/mol. Its IUPAC name is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole.

Molecular Properties

• Compound Name: 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole
• PubChem CID: 158148776
• Molecular Formula: C106H66N10
• Molecular Weight: 1479.76 g/mol
• Exact Mass: 1478.55
• IUPAC Name: 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc6ccccc6c6ccccc56)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccc7ccccc7c6c5)ccc43)n2)cc1
• InChI: InChI=1S/2C53H33N5/c1-3-14-36(15-4-1)51-54-52(37-16-5-2-6-17-37)56-53(55-51)58-48-22-12-10-20-43(48)46-32-39(27-30-50(46)58)38-26-29-49-45(31-38)42-19-9-11-21-47(42)57(49)40-28-25-35-24-23-34-13-7-8-18-41(34)44(35)33-40;1-3-15-34(16-4-1)51-54-52(35-17-5-2-6-18-35)56-53(55-51)58-47-26-14-12-24-43(47)45-32-37(28-30-49(45)58)36-27-29-48-44(31-36)42-23-11-13-25-46(42)57(48)50-33-38-19-7-8-20-39(38)40-21-9-10-22-41(40)50/h2*1-33H
• InChIKey: FUVLSPFXVBGVOG-UHFFFAOYSA-N
• XLogP: 26.75
• TPSA: 97.06 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1479.76
LogP ≤ 5	26.75
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 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole?

The IUPAC name of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole (CID 158148776) is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole.

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

The canonical SMILES for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc6ccccc6c6ccccc56)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccc7ccccc7c6c5)ccc43)n2)cc1.

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

The InChIKey is FUVLSPFXVBGVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H33N5/c1-3-14-36(15-4-1)51-54-52(37-16-5-2-6-17-37)56-53(55-51)58-48-22-12-10-20-43(48)46-32-39(27-30-50(46)58)38-26-29-49-45(31-38)42-19-9-11-21-47(42)57(49)40-28-25-35-24-23-34-13-7-8-18-41(34)44(35)33-40;1-3-15-34(16-4-1)51-54-52(35-17-5-2-6-18-35)56-53(55-51)58-47-26-14-12-24-43(47)45-32-37(28-30-49(45)58)36-27-29-48-44(31-36)42-23-11-13-25-46(42)57(48)50-33-38-19-7-8-20-39(38)40-21-9-10-22-41(40)50/h2*1-33H.

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

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole has a molecular weight of 1479.76 g/mol, XLogP of 26.75, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole is sourced from PubChem (CID 158148776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).