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

C150H88N10 — CID 157051196

About 3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-naphthalen-2-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-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole (PubChem CID 157051196) has the molecular formula C150H88N10 and a molecular weight of 2030.42 g/mol. Its IUPAC name is 3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole.

Molecular Properties

• Compound Name: 3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole
• PubChem CID: 157051196
• Molecular Formula: C150H88N10
• Molecular Weight: 2030.42 g/mol
• Exact Mass: 2028.72
• IUPAC Name: 3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole
• SMILES: c1ccc2c(c1)ccc1cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccc7c8ccccc8c8ccccc8c7c6)nc(-c6ccc7c8ccccc8c8ccccc8c7c6)n5)ccc43)ccc12.c1ccc2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccc7c8ccccc8c8ccccc8c7c6)nc(-c6ccc7c8ccccc8c8ccccc8c7c6)n5)ccc43)ccc2c1
• InChI: InChI=1S/C77H45N5.C73H43N5/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;1-2-16-45-39-50(34-29-44(45)15-1)77-67-27-13-11-25-61(67)65-40-46(32-37-69(65)77)47-33-38-70-66(41-47)62-26-12-14-28-68(62)78(70)73-75-71(48-30-35-59-55-21-5-3-17-51(55)53-19-7-9-23-57(53)63(59)42-48)74-72(76-73)49-31-36-60-56-22-6-4-18-52(56)54-20-8-10-24-58(54)64(60)43-49/h1-45H;1-43H
• InChIKey: AAFMXZCVMKGILU-UHFFFAOYSA-N
• XLogP: 39.43
• TPSA: 97.06 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2030.42
LogP ≤ 5	39.43
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-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole?

The IUPAC name of 3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole (CID 157051196) is 3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-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-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole?

The canonical SMILES for 3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole is c1ccc2c(c1)ccc1cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccc7c8ccccc8c8ccccc8c7c6)nc(-c6ccc7c8ccccc8c8ccccc8c7c6)n5)ccc43)ccc12.c1ccc2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccc7c8ccccc8c8ccccc8c7c6)nc(-c6ccc7c8ccccc8c8ccccc8c7c6)n5)ccc43)ccc2c1.

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

The InChIKey is AAFMXZCVMKGILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H45N5.C73H43N5/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;1-2-16-45-39-50(34-29-44(45)15-1)77-67-27-13-11-25-61(67)65-40-46(32-37-69(65)77)47-33-38-70-66(41-47)62-26-12-14-28-68(62)78(70)73-75-71(48-30-35-59-55-21-5-3-17-51(55)53-19-7-9-23-57(53)63(59)42-48)74-72(76-73)49-31-36-60-56-22-6-4-18-52(56)54-20-8-10-24-58(54)64(60)43-49/h1-45H;1-43H.

What are the key properties of 3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-naphthalen-2-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-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole has a molecular weight of 2030.42 g/mol, XLogP of 39.43, 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-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole is sourced from PubChem (CID 157051196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).