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

C159H93N9 — CID 159141547

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

3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-9-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole (PubChem CID 159141547) has the molecular formula C159H93N9 and a molecular weight of 2129.56 g/mol. Its IUPAC name is 3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-9-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole.

Molecular Properties

• Compound Name: 3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-9-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole
• PubChem CID: 159141547
• Molecular Formula: C159H93N9
• Molecular Weight: 2129.56 g/mol
• Exact Mass: 2127.76
• IUPAC Name: 3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-9-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole
• SMILES: c1ccc2c(c1)c1ccccc1c1cc(-c3nc(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8ccccc8c8ccccc8c7c6)ccc54)n3)ccc21.c1ccc2c(c1)cc(-n1c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5ccc6c7ccccc7c7ccccc7c6c5)n4)ccc31)c1ccccc12
• InChI: InChI=1S/C81H47N5.C78H46N4/c1-4-23-59-53(17-1)56-20-7-10-26-62(56)70-45-50(33-38-65(59)70)79-82-80(51-34-39-66-60-24-5-2-18-54(60)57-21-8-11-27-63(57)71(66)46-51)84-81(83-79)86-76-32-16-14-30-69(76)74-44-49(36-42-78(74)86)48-35-41-77-73(43-48)68-29-13-15-31-75(68)85(77)52-37-40-67-61-25-6-3-19-55(61)58-22-9-12-28-64(58)72(67)47-52;1-2-18-52-49(17-1)45-77(64-28-12-11-19-53(52)64)81-73-31-15-13-29-65(73)69-41-47(35-39-75(69)81)48-36-40-76-70(42-48)66-30-14-16-32-74(66)82(76)78-79-71(50-33-37-62-58-24-5-3-20-54(58)56-22-7-9-26-60(56)67(62)43-50)46-72(80-78)51-34-38-63-59-25-6-4-21-55(59)57-23-8-10-27-61(57)68(63)44-51/h1-47H;1-46H
• InChIKey: KIDNTFOMDRFUAA-UHFFFAOYSA-N
• XLogP: 42.34
• TPSA: 84.17 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2129.56
LogP ≤ 5	42.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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

The IUPAC name of 3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-9-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole (CID 159141547) is 3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-9-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole.

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

The canonical SMILES for 3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-9-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole is c1ccc2c(c1)c1ccccc1c1cc(-c3nc(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8ccccc8c8ccccc8c7c6)ccc54)n3)ccc21.c1ccc2c(c1)cc(-n1c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5ccc6c7ccccc7c7ccccc7c6c5)n4)ccc31)c1ccccc12.

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

The InChIKey is KIDNTFOMDRFUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H47N5.C78H46N4/c1-4-23-59-53(17-1)56-20-7-10-26-62(56)70-45-50(33-38-65(59)70)79-82-80(51-34-39-66-60-24-5-2-18-54(60)57-21-8-11-27-63(57)71(66)46-51)84-81(83-79)86-76-32-16-14-30-69(76)74-44-49(36-42-78(74)86)48-35-41-77-73(43-48)68-29-13-15-31-75(68)85(77)52-37-40-67-61-25-6-3-19-55(61)58-22-9-12-28-64(58)72(67)47-52;1-2-18-52-49(17-1)45-77(64-28-12-11-19-53(52)64)81-73-31-15-13-29-65(73)69-41-47(35-39-75(69)81)48-36-40-76-70(42-48)66-30-14-16-32-74(66)82(76)78-79-71(50-33-37-62-58-24-5-3-20-54(58)56-22-7-9-26-60(56)67(62)43-50)46-72(80-78)51-34-38-63-59-25-6-4-21-55(59)57-23-8-10-27-61(57)68(63)44-51/h1-47H;1-46H.

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

3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-9-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole has a molecular weight of 2129.56 g/mol, XLogP of 42.34, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-9-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole is sourced from PubChem (CID 159141547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).