8-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(10-diphenylphosphorylanthracen-9-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C170H111N18OP — CID 159179686

About 8-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(10-diphenylphosphorylanthracen-9-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

8-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(10-diphenylphosphorylanthracen-9-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 159179686) has the molecular formula C170H111N18OP and a molecular weight of 2452.86 g/mol. Its IUPAC name is 8-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(10-diphenylphosphorylanthracen-9-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

• Compound Name: 8-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(10-diphenylphosphorylanthracen-9-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• PubChem CID: 159179686
• Molecular Formula: C170H111N18OP
• Molecular Weight: 2452.86 g/mol
• Exact Mass: 2450.89
• IUPAC Name: 8-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(10-diphenylphosphorylanthracen-9-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• SMILES: Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(-c4nc5c(nc6ccccn65)c5ccccc45)cc3)n2)cc1.O=P(c1ccccc1)(c1ccccc1)c1c2ccccc2c(-c2cccc(-c3nc4c(nc5ccccn54)c4ccccc34)c2)c2ccccc12.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5nc6c(nc7ccccn76)c6ccccc56)c4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5nc6c(nc7ccccn76)c6ccccc56)cc4)n3)cc2)cc1
• InChI: InChI=1S/C46H30N3OP.C46H29N3.C41H26N6.C37H26N6/c50-51(33-18-3-1-4-19-33,34-20-5-2-6-21-34)45-39-26-11-7-22-35(39)42(36-23-8-12-27-40(36)45)31-16-15-17-32(30-31)43-37-24-9-10-25-38(37)44-46(48-43)49-29-14-13-28-41(49)47-44;1-2-13-30(14-3-1)31-24-26-32(27-25-31)42-35-17-4-6-19-37(35)43(38-20-7-5-18-36(38)42)33-15-12-16-34(29-33)44-39-21-8-9-22-40(39)45-46(48-44)49-28-11-10-23-41(49)47-45;1-3-11-27(12-4-1)28-18-22-31(23-19-28)39-44-38(30-13-5-2-6-14-30)45-40(46-39)32-24-20-29(21-25-32)36-33-15-7-8-16-34(33)37-41(43-36)47-26-10-9-17-35(47)42-37;1-23-10-14-26(15-11-23)34-40-35(27-16-12-24(2)13-17-27)42-36(41-34)28-20-18-25(19-21-28)32-29-7-3-4-8-30(29)33-37(39-32)43-22-6-5-9-31(43)38-33/h1-30H;1-29H;1-26H;3-22H,1-2H3
• InChIKey: KMSOHHJTMMISLG-UHFFFAOYSA-N
• XLogP: 40.39
• TPSA: 215.17 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2452.86
LogP ≤ 5	40.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(10-diphenylphosphorylanthracen-9-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The IUPAC name of 8-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(10-diphenylphosphorylanthracen-9-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 159179686) is 8-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(10-diphenylphosphorylanthracen-9-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

What is the SMILES notation for 8-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(10-diphenylphosphorylanthracen-9-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The canonical SMILES for 8-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(10-diphenylphosphorylanthracen-9-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(-c4nc5c(nc6ccccn65)c5ccccc45)cc3)n2)cc1.O=P(c1ccccc1)(c1ccccc1)c1c2ccccc2c(-c2cccc(-c3nc4c(nc5ccccn54)c4ccccc34)c2)c2ccccc12.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5nc6c(nc7ccccn76)c6ccccc56)c4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5nc6c(nc7ccccn76)c6ccccc56)cc4)n3)cc2)cc1.

What is the InChIKey of 8-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(10-diphenylphosphorylanthracen-9-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The InChIKey is KMSOHHJTMMISLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N3OP.C46H29N3.C41H26N6.C37H26N6/c50-51(33-18-3-1-4-19-33,34-20-5-2-6-21-34)45-39-26-11-7-22-35(39)42(36-23-8-12-27-40(36)45)31-16-15-17-32(30-31)43-37-24-9-10-25-38(37)44-46(48-43)49-29-14-13-28-41(49)47-44;1-2-13-30(14-3-1)31-24-26-32(27-25-31)42-35-17-4-6-19-37(35)43(38-20-7-5-18-36(38)42)33-15-12-16-34(29-33)44-39-21-8-9-22-40(39)45-46(48-44)49-28-11-10-23-41(49)47-45;1-3-11-27(12-4-1)28-18-22-31(23-19-28)39-44-38(30-13-5-2-6-14-30)45-40(46-39)32-24-20-29(21-25-32)36-33-15-7-8-16-34(33)37-41(43-36)47-26-10-9-17-35(47)42-37;1-23-10-14-26(15-11-23)34-40-35(27-16-12-24(2)13-17-27)42-36(41-34)28-20-18-25(19-21-28)32-29-7-3-4-8-30(29)33-37(39-32)43-22-6-5-9-31(43)38-33/h1-30H;1-29H;1-26H;3-22H,1-2H3.

What are the key properties of 8-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(10-diphenylphosphorylanthracen-9-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

8-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(10-diphenylphosphorylanthracen-9-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 2452.86 g/mol, XLogP of 40.39, 18 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(10-diphenylphosphorylanthracen-9-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 159179686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).