2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4,6-diphenyl-1,3,5-triazine;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-pyridin-2-yl-5-[3-pyridin-3-yl-5-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]pyridine;2,4,6-tris(4,6-diphenyl-2-pyridinyl)-1,3,5-triazine

C180H117N17 — CID 158158649

About 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4,6-diphenyl-1,3,5-triazine;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-pyridin-2-yl-5-[3-pyridin-3-yl-5-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]pyridine;2,4,6-tris(4,6-diphenyl-2-pyridinyl)-1,3,5-triazine

2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4,6-diphenyl-1,3,5-triazine;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-pyridin-2-yl-5-[3-pyridin-3-yl-5-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]pyridine;2,4,6-tris(4,6-diphenyl-2-pyridinyl)-1,3,5-triazine (PubChem CID 158158649) has the molecular formula C180H117N17 and a molecular weight of 2518.03 g/mol. Its IUPAC name is 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4,6-diphenyl-1,3,5-triazine;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-pyridin-2-yl-5-[3-pyridin-3-yl-5-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]pyridine;2,4,6-tris(4,6-diphenyl-2-pyridinyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4,6-diphenyl-1,3,5-triazine;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-pyridin-2-yl-5-[3-pyridin-3-yl-5-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]pyridine;2,4,6-tris(4,6-diphenyl-2-pyridinyl)-1,3,5-triazine
• PubChem CID: 158158649
• Molecular Formula: C180H117N17
• Molecular Weight: 2518.03 g/mol
• Exact Mass: 2515.97
• IUPAC Name: 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4,6-diphenyl-1,3,5-triazine;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-pyridin-2-yl-5-[3-pyridin-3-yl-5-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]pyridine;2,4,6-tris(4,6-diphenyl-2-pyridinyl)-1,3,5-triazine
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)n3)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccnc4)cc(-c4ccc(-c5cccc(-c6ccccn6)n5)nc4)c3)cn2)nc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)n2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C54H36N6.C47H29N3.C43H28N2.C36H24N6/c1-7-19-37(20-8-1)43-31-46(40-25-13-4-14-26-40)55-49(34-43)52-58-53(50-35-44(38-21-9-2-10-22-38)32-47(56-50)41-27-15-5-16-28-41)60-54(59-52)51-36-45(39-23-11-3-12-24-39)33-48(57-51)42-29-17-6-18-30-42;1-5-16-30(17-6-1)40-34-24-13-14-25-35(34)41(31-18-7-2-8-19-31)44-39-29-28-37(36-26-15-27-38(42(36)39)43(40)44)47-49-45(32-20-9-3-10-21-32)48-46(50-47)33-22-11-4-12-23-33;1-2-13-31(14-3-1)43-44-39-20-10-11-21-40(39)45(43)34-26-24-30(25-27-34)41-35-16-6-8-18-37(35)42(38-19-9-7-17-36(38)41)33-23-22-29-12-4-5-15-32(29)28-33;1-3-17-38-31(8-1)33-14-12-26(23-40-33)29-19-28(25-7-6-16-37-22-25)20-30(21-29)27-13-15-34(41-24-27)36-11-5-10-35(42-36)32-9-2-4-18-39-32/h1-36H;1-29H;1-28H;1-24H
• InChIKey: FVZPGFNBOHHVED-UHFFFAOYSA-N
• XLogP: 44.76
• TPSA: 211.17 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 24
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2518.03
LogP ≤ 5	44.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4,6-diphenyl-1,3,5-triazine;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-pyridin-2-yl-5-[3-pyridin-3-yl-5-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]pyridine;2,4,6-tris(4,6-diphenyl-2-pyridinyl)-1,3,5-triazine?

The IUPAC name of 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4,6-diphenyl-1,3,5-triazine;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-pyridin-2-yl-5-[3-pyridin-3-yl-5-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]pyridine;2,4,6-tris(4,6-diphenyl-2-pyridinyl)-1,3,5-triazine (CID 158158649) is 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4,6-diphenyl-1,3,5-triazine;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-pyridin-2-yl-5-[3-pyridin-3-yl-5-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]pyridine;2,4,6-tris(4,6-diphenyl-2-pyridinyl)-1,3,5-triazine.

What is the SMILES notation for 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4,6-diphenyl-1,3,5-triazine;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-pyridin-2-yl-5-[3-pyridin-3-yl-5-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]pyridine;2,4,6-tris(4,6-diphenyl-2-pyridinyl)-1,3,5-triazine?

The canonical SMILES for 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4,6-diphenyl-1,3,5-triazine;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-pyridin-2-yl-5-[3-pyridin-3-yl-5-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]pyridine;2,4,6-tris(4,6-diphenyl-2-pyridinyl)-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)n3)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccnc4)cc(-c4ccc(-c5cccc(-c6ccccn6)n5)nc4)c3)cn2)nc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)n2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1.

What is the InChIKey of 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4,6-diphenyl-1,3,5-triazine;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-pyridin-2-yl-5-[3-pyridin-3-yl-5-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]pyridine;2,4,6-tris(4,6-diphenyl-2-pyridinyl)-1,3,5-triazine?

The InChIKey is FVZPGFNBOHHVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N6.C47H29N3.C43H28N2.C36H24N6/c1-7-19-37(20-8-1)43-31-46(40-25-13-4-14-26-40)55-49(34-43)52-58-53(50-35-44(38-21-9-2-10-22-38)32-47(56-50)41-27-15-5-16-28-41)60-54(59-52)51-36-45(39-23-11-3-12-24-39)33-48(57-51)42-29-17-6-18-30-42;1-5-16-30(17-6-1)40-34-24-13-14-25-35(34)41(31-18-7-2-8-19-31)44-39-29-28-37(36-26-15-27-38(42(36)39)43(40)44)47-49-45(32-20-9-3-10-21-32)48-46(50-47)33-22-11-4-12-23-33;1-2-13-31(14-3-1)43-44-39-20-10-11-21-40(39)45(43)34-26-24-30(25-27-34)41-35-16-6-8-18-37(35)42(38-19-9-7-17-36(38)41)33-23-22-29-12-4-5-15-32(29)28-33;1-3-17-38-31(8-1)33-14-12-26(23-40-33)29-19-28(25-7-6-16-37-22-25)20-30(21-29)27-13-15-34(41-24-27)36-11-5-10-35(42-36)32-9-2-4-18-39-32/h1-36H;1-29H;1-28H;1-24H.

What are the key properties of 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4,6-diphenyl-1,3,5-triazine;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-pyridin-2-yl-5-[3-pyridin-3-yl-5-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]pyridine;2,4,6-tris(4,6-diphenyl-2-pyridinyl)-1,3,5-triazine?

2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4,6-diphenyl-1,3,5-triazine;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-pyridin-2-yl-5-[3-pyridin-3-yl-5-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]pyridine;2,4,6-tris(4,6-diphenyl-2-pyridinyl)-1,3,5-triazine has a molecular weight of 2518.03 g/mol, XLogP of 44.76, 24 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4,6-diphenyl-1,3,5-triazine;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-pyridin-2-yl-5-[3-pyridin-3-yl-5-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]pyridine;2,4,6-tris(4,6-diphenyl-2-pyridinyl)-1,3,5-triazine is sourced from PubChem (CID 158158649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).