3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;2,4-diphenyl-6-[2-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine

C98H64N6 — CID 158567495

About 3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;2,4-diphenyl-6-[2-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine

3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;2,4-diphenyl-6-[2-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 158567495) has the molecular formula C98H64N6 and a molecular weight of 1325.63 g/mol. Its IUPAC name is 3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;2,4-diphenyl-6-[2-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;2,4-diphenyl-6-[2-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 158567495
• Molecular Formula: C98H64N6
• Molecular Weight: 1325.63 g/mol
• Exact Mass: 1324.52
• IUPAC Name: 3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;2,4-diphenyl-6-[2-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3-c3ccccc3-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1
• InChI: InChI=1S/C51H33N3.C47H31N3/c1-3-17-34(18-4-1)49-52-50(35-19-5-2-6-20-35)54-51(53-49)47-30-16-15-28-44(47)41-25-11-9-23-39(41)38-22-8-7-21-37(38)36-31-32-46-43-27-12-10-24-40(43)42-26-13-14-29-45(42)48(46)33-36;1-4-14-32(15-5-1)36-30-42(33-16-6-2-7-17-33)48-47(31-36)50-44-23-13-11-21-39(44)41-29-35(25-27-46(41)50)34-24-26-45-40(28-34)38-20-10-12-22-43(38)49(45)37-18-8-3-9-19-37/h1-33H;1-31H
• InChIKey: HRQVUNINXRERAU-UHFFFAOYSA-N
• XLogP: 25.61
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1325.63
LogP ≤ 5	25.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;2,4-diphenyl-6-[2-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine?

The IUPAC name of 3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;2,4-diphenyl-6-[2-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine (CID 158567495) is 3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;2,4-diphenyl-6-[2-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;2,4-diphenyl-6-[2-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine?

The canonical SMILES for 3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;2,4-diphenyl-6-[2-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3-c3ccccc3-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.

What is the InChIKey of 3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;2,4-diphenyl-6-[2-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine?

The InChIKey is HRQVUNINXRERAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3.C47H31N3/c1-3-17-34(18-4-1)49-52-50(35-19-5-2-6-20-35)54-51(53-49)47-30-16-15-28-44(47)41-25-11-9-23-39(41)38-22-8-7-21-37(38)36-31-32-46-43-27-12-10-24-40(43)42-26-13-14-29-45(42)48(46)33-36;1-4-14-32(15-5-1)36-30-42(33-16-6-2-7-17-33)48-47(31-36)50-44-23-13-11-21-39(44)41-29-35(25-27-46(41)50)34-24-26-45-40(28-34)38-20-10-12-22-43(38)49(45)37-18-8-3-9-19-37/h1-33H;1-31H.

What are the key properties of 3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;2,4-diphenyl-6-[2-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine?

3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;2,4-diphenyl-6-[2-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 1325.63 g/mol, XLogP of 25.61, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;2,4-diphenyl-6-[2-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 158567495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).