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

C154H90N10 — CID 157495476

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

3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-3-ylcarbazole (PubChem CID 157495476) has the molecular formula C154H90N10 and a molecular weight of 2080.48 g/mol. Its IUPAC name is 3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-3-ylcarbazole.

Molecular Properties

• Compound Name: 3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-3-ylcarbazole
• PubChem CID: 157495476
• Molecular Formula: C154H90N10
• Molecular Weight: 2080.48 g/mol
• Exact Mass: 2078.73
• IUPAC Name: 3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-3-ylcarbazole
• SMILES: c1ccc2c(c1)ccc1cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccc7c8ccccc8c8ccccc8c7c6)nc(-c6ccc7c8ccccc8c8ccccc8c7c6)n5)ccc43)ccc12.c1ccc2c(c1)ccc1ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccc7c8ccccc8c8ccccc8c7c6)nc(-c6ccc7c8ccccc8c8ccccc8c7c6)n5)ccc43)cc12
• InChI: InChI=1S/2C77H45N5/c1-2-16-53-46(15-1)29-30-49-41-52(35-38-54(49)53)81-71-27-13-11-25-65(71)69-42-47(33-39-73(69)81)48-34-40-74-70(43-48)66-26-12-14-28-72(66)82(74)77-79-75(50-31-36-63-59-21-5-3-17-55(59)57-19-7-9-23-61(57)67(63)44-50)78-76(80-77)51-32-37-64-60-22-6-4-18-56(60)58-20-8-10-24-62(58)68(64)45-51;1-2-16-53-46(15-1)29-30-47-31-36-52(45-66(47)53)81-71-27-13-11-25-64(71)69-41-48(34-39-73(69)81)49-35-40-74-70(42-49)65-26-12-14-28-72(65)82(74)77-79-75(50-32-37-62-58-21-5-3-17-54(58)56-19-7-9-23-60(56)67(62)43-50)78-76(80-77)51-33-38-63-59-22-6-4-18-55(59)57-20-8-10-24-61(57)68(63)44-51/h2*1-45H
• InChIKey: BXTZEBKGPDWKQG-UHFFFAOYSA-N
• XLogP: 40.58
• TPSA: 97.06 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2080.48
LogP ≤ 5	40.58
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-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-3-ylcarbazole?

The IUPAC name of 3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-3-ylcarbazole (CID 157495476) is 3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-[4,6-di(triphenylen-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-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-3-ylcarbazole?

The canonical SMILES for 3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-3-ylcarbazole is c1ccc2c(c1)ccc1cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccc7c8ccccc8c8ccccc8c7c6)nc(-c6ccc7c8ccccc8c8ccccc8c7c6)n5)ccc43)ccc12.c1ccc2c(c1)ccc1ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccc7c8ccccc8c8ccccc8c7c6)nc(-c6ccc7c8ccccc8c8ccccc8c7c6)n5)ccc43)cc12.

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

The InChIKey is BXTZEBKGPDWKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C77H45N5/c1-2-16-53-46(15-1)29-30-49-41-52(35-38-54(49)53)81-71-27-13-11-25-65(71)69-42-47(33-39-73(69)81)48-34-40-74-70(43-48)66-26-12-14-28-72(66)82(74)77-79-75(50-31-36-63-59-21-5-3-17-55(59)57-19-7-9-23-61(57)67(63)44-50)78-76(80-77)51-32-37-64-60-22-6-4-18-56(60)58-20-8-10-24-62(58)68(64)45-51;1-2-16-53-46(15-1)29-30-47-31-36-52(45-66(47)53)81-71-27-13-11-25-64(71)69-41-48(34-39-73(69)81)49-35-40-74-70(42-49)65-26-12-14-28-72(65)82(74)77-79-75(50-32-37-62-58-21-5-3-17-54(58)56-19-7-9-23-60(56)67(62)43-50)78-76(80-77)51-33-38-63-59-22-6-4-18-55(59)57-20-8-10-24-61(57)68(63)44-51/h2*1-45H.

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

3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-3-ylcarbazole has a molecular weight of 2080.48 g/mol, XLogP of 40.58, 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-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-3-ylcarbazole is sourced from PubChem (CID 157495476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).