8-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline;bis(10-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline);1-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[b]phosphindole 5-oxide

C149H84N39OP — CID 157162510

About 8-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline;bis(10-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline);1-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[b]phosphindole 5-oxide

8-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline;bis(10-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline);1-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[b]phosphindole 5-oxide (PubChem CID 157162510) has the molecular formula C149H84N39OP and a molecular weight of 2467.56 g/mol. Its IUPAC name is 8-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline;bis(10-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline);1-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[b]phosphindole 5-oxide.

Molecular Properties

• Compound Name: 8-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline;bis(10-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline);1-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[b]phosphindole 5-oxide
• PubChem CID: 157162510
• Molecular Formula: C149H84N39OP
• Molecular Weight: 2467.56 g/mol
• Exact Mass: 2465.75
• IUPAC Name: 8-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline;bis(10-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline);1-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[b]phosphindole 5-oxide
• SMILES: O=P1(c2ccccc2)c2ccccc2-c2c(-c3nc(-n4c5ncccc5c5cccnc54)nc(-n4c5ncccc5c5cccnc54)n3)cccc21.c1cnc2c(c1)ccc1cc(-c3nc(-n4c5ncccc5c5cccnc54)nc(-n4c5ncccc5c5cccnc54)n3)ccc12.c1cnc2c(c1)ccc1cccc(-c3nc(-n4c5ncccc5c5cccnc54)nc(-n4c5ncccc5c5cccnc54)n3)c12.c1cnc2c(c1)ccc1cccc(-c3nc(-n4c5ncccc5c5cccnc54)nc(-n4c5ncccc5c5cccnc54)n3)c12
• InChI: InChI=1S/C41H24N9OP.3C36H20N10/c51-52(25-11-2-1-3-12-25)32-19-5-4-13-30(32)34-31(14-6-20-33(34)52)35-46-40(49-36-26(15-7-21-42-36)27-16-8-22-43-37(27)49)48-41(47-35)50-38-28(17-9-23-44-38)29-18-10-24-45-39(29)50;2*1-7-21-14-15-22-8-2-16-37-29(22)28(21)27(9-1)30-42-35(45-31-23(10-3-17-38-31)24-11-4-18-39-32(24)45)44-36(43-30)46-33-25(12-5-19-40-33)26-13-6-20-41-34(26)46;1-6-21-11-12-22-20-23(13-14-24(22)29(21)37-15-1)30-42-35(45-31-25(7-2-16-38-31)26-8-3-17-39-32(26)45)44-36(43-30)46-33-27(9-4-18-40-33)28-10-5-19-41-34(28)46/h1-24H;3*1-20H
• InChIKey: AMNPUIUUBQHLRU-UHFFFAOYSA-N
• XLogP: 27.98
• TPSA: 456.10 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 13
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2467.56
LogP ≤ 5	27.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline;bis(10-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline);1-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[b]phosphindole 5-oxide?

The IUPAC name of 8-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline;bis(10-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline);1-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[b]phosphindole 5-oxide (CID 157162510) is 8-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline;bis(10-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline);1-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[b]phosphindole 5-oxide.

What is the SMILES notation for 8-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline;bis(10-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline);1-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[b]phosphindole 5-oxide?

The canonical SMILES for 8-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline;bis(10-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline);1-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[b]phosphindole 5-oxide is O=P1(c2ccccc2)c2ccccc2-c2c(-c3nc(-n4c5ncccc5c5cccnc54)nc(-n4c5ncccc5c5cccnc54)n3)cccc21.c1cnc2c(c1)ccc1cc(-c3nc(-n4c5ncccc5c5cccnc54)nc(-n4c5ncccc5c5cccnc54)n3)ccc12.c1cnc2c(c1)ccc1cccc(-c3nc(-n4c5ncccc5c5cccnc54)nc(-n4c5ncccc5c5cccnc54)n3)c12.c1cnc2c(c1)ccc1cccc(-c3nc(-n4c5ncccc5c5cccnc54)nc(-n4c5ncccc5c5cccnc54)n3)c12.

What is the InChIKey of 8-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline;bis(10-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline);1-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[b]phosphindole 5-oxide?

The InChIKey is AMNPUIUUBQHLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N9OP.3C36H20N10/c51-52(25-11-2-1-3-12-25)32-19-5-4-13-30(32)34-31(14-6-20-33(34)52)35-46-40(49-36-26(15-7-21-42-36)27-16-8-22-43-37(27)49)48-41(47-35)50-38-28(17-9-23-44-38)29-18-10-24-45-39(29)50;2*1-7-21-14-15-22-8-2-16-37-29(22)28(21)27(9-1)30-42-35(45-31-23(10-3-17-38-31)24-11-4-18-39-32(24)45)44-36(43-30)46-33-25(12-5-19-40-33)26-13-6-20-41-34(26)46;1-6-21-11-12-22-20-23(13-14-24(22)29(21)37-15-1)30-42-35(45-31-25(7-2-16-38-31)26-8-3-17-39-32(26)45)44-36(43-30)46-33-27(9-4-18-40-33)28-10-5-19-41-34(28)46/h1-24H;3*1-20H.

What are the key properties of 8-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline;bis(10-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline);1-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[b]phosphindole 5-oxide?

8-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline;bis(10-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline);1-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[b]phosphindole 5-oxide has a molecular weight of 2467.56 g/mol, XLogP of 27.98, 13 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline;bis(10-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]benzo[h]quinoline);1-[4,6-bis(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[b]phosphindole 5-oxide is sourced from PubChem (CID 157162510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).