17-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21,23-triphenyl-9,22,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;3,15,17,21-tetraphenyl-3,14,16-triazahexacyclo[11.11.0.02,10.04,9.014,18.019,24]tetracosa-1(13),2(10),4,6,8,11,15,17,19(24),20,22-undecaene;9,15,17,22-tetraphenyl-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19(24),20,22-undecaene

C144H92N12 — CID 163506585

About 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21,23-triphenyl-9,22,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;3,15,17,21-tetraphenyl-3,14,16-triazahexacyclo[11.11.0.02,10.04,9.014,18.019,24]tetracosa-1(13),2(10),4,6,8,11,15,17,19(24),20,22-undecaene;9,15,17,22-tetraphenyl-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19(24),20,22-undecaene

17-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21,23-triphenyl-9,22,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;3,15,17,21-tetraphenyl-3,14,16-triazahexacyclo[11.11.0.02,10.04,9.014,18.019,24]tetracosa-1(13),2(10),4,6,8,11,15,17,19(24),20,22-undecaene;9,15,17,22-tetraphenyl-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19(24),20,22-undecaene (PubChem CID 163506585) has the molecular formula C144H92N12 and a molecular weight of 1990.40 g/mol. Its IUPAC name is 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21,23-triphenyl-9,22,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;3,15,17,21-tetraphenyl-3,14,16-triazahexacyclo[11.11.0.02,10.04,9.014,18.019,24]tetracosa-1(13),2(10),4,6,8,11,15,17,19(24),20,22-undecaene;9,15,17,22-tetraphenyl-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19(24),20,22-undecaene.

Molecular Properties

• Compound Name: 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21,23-triphenyl-9,22,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;3,15,17,21-tetraphenyl-3,14,16-triazahexacyclo[11.11.0.02,10.04,9.014,18.019,24]tetracosa-1(13),2(10),4,6,8,11,15,17,19(24),20,22-undecaene;9,15,17,22-tetraphenyl-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19(24),20,22-undecaene
• PubChem CID: 163506585
• Molecular Formula: C144H92N12
• Molecular Weight: 1990.40 g/mol
• Exact Mass: 1988.76
• IUPAC Name: 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21,23-triphenyl-9,22,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;3,15,17,21-tetraphenyl-3,14,16-triazahexacyclo[11.11.0.02,10.04,9.014,18.019,24]tetracosa-1(13),2(10),4,6,8,11,15,17,19(24),20,22-undecaene;9,15,17,22-tetraphenyl-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19(24),20,22-undecaene
• SMILES: c1ccc(-c2ccc3c(c2)c2c(-c4ccccc4)nc(-c4ccccc4)n2c2ccc4c5ccccc5n(-c5ccccc5)c4c32)cc1.c1ccc(-c2ccc3c(c2)c2c4c5ccccc5n(-c5ccccc5)c4ccc2n2c(-c4ccccc4)nc(-c4ccccc4)c32)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3c(-c5ccccc5)nc(-c5ccccc5)n3c3c4ccc4c3c3ccccc3n4-c3ccccc3)n2)cc1
• InChI: InChI=1S/C54H34N6.2C45H29N3/c1-6-18-35(19-7-1)48-50-44-34-39(53-57-51(36-20-8-2-9-21-36)56-52(58-53)37-22-10-3-11-23-37)30-31-41(44)42-32-33-46-47(49(42)60(50)54(55-48)38-24-12-4-13-25-38)43-28-16-17-29-45(43)59(46)40-26-14-5-15-27-40;1-5-15-30(16-6-1)33-25-26-35-37(29-33)42-40(28-27-39-41(42)36-23-13-14-24-38(36)47(39)34-21-11-4-12-22-34)48-44(35)43(31-17-7-2-8-18-31)46-45(48)32-19-9-3-10-20-32;1-5-15-30(16-6-1)33-25-26-36-38(29-33)44-42(31-17-7-2-8-18-31)46-45(32-19-9-3-10-20-32)48(44)40-28-27-37-35-23-13-14-24-39(35)47(43(37)41(36)40)34-21-11-4-12-22-34/h1-34H;2*1-29H
• InChIKey: CZBMFGHCEMBUHR-UHFFFAOYSA-N
• XLogP: 36.74
• TPSA: 105.36 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1990.40
LogP ≤ 5	36.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21,23-triphenyl-9,22,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;3,15,17,21-tetraphenyl-3,14,16-triazahexacyclo[11.11.0.02,10.04,9.014,18.019,24]tetracosa-1(13),2(10),4,6,8,11,15,17,19(24),20,22-undecaene;9,15,17,22-tetraphenyl-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19(24),20,22-undecaene?

The IUPAC name of 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21,23-triphenyl-9,22,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;3,15,17,21-tetraphenyl-3,14,16-triazahexacyclo[11.11.0.02,10.04,9.014,18.019,24]tetracosa-1(13),2(10),4,6,8,11,15,17,19(24),20,22-undecaene;9,15,17,22-tetraphenyl-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19(24),20,22-undecaene (CID 163506585) is 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21,23-triphenyl-9,22,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;3,15,17,21-tetraphenyl-3,14,16-triazahexacyclo[11.11.0.02,10.04,9.014,18.019,24]tetracosa-1(13),2(10),4,6,8,11,15,17,19(24),20,22-undecaene;9,15,17,22-tetraphenyl-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19(24),20,22-undecaene.

What is the SMILES notation for 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21,23-triphenyl-9,22,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;3,15,17,21-tetraphenyl-3,14,16-triazahexacyclo[11.11.0.02,10.04,9.014,18.019,24]tetracosa-1(13),2(10),4,6,8,11,15,17,19(24),20,22-undecaene;9,15,17,22-tetraphenyl-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19(24),20,22-undecaene?

The canonical SMILES for 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21,23-triphenyl-9,22,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;3,15,17,21-tetraphenyl-3,14,16-triazahexacyclo[11.11.0.02,10.04,9.014,18.019,24]tetracosa-1(13),2(10),4,6,8,11,15,17,19(24),20,22-undecaene;9,15,17,22-tetraphenyl-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19(24),20,22-undecaene is c1ccc(-c2ccc3c(c2)c2c(-c4ccccc4)nc(-c4ccccc4)n2c2ccc4c5ccccc5n(-c5ccccc5)c4c32)cc1.c1ccc(-c2ccc3c(c2)c2c4c5ccccc5n(-c5ccccc5)c4ccc2n2c(-c4ccccc4)nc(-c4ccccc4)c32)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3c(-c5ccccc5)nc(-c5ccccc5)n3c3c4ccc4c3c3ccccc3n4-c3ccccc3)n2)cc1.

What is the InChIKey of 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21,23-triphenyl-9,22,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;3,15,17,21-tetraphenyl-3,14,16-triazahexacyclo[11.11.0.02,10.04,9.014,18.019,24]tetracosa-1(13),2(10),4,6,8,11,15,17,19(24),20,22-undecaene;9,15,17,22-tetraphenyl-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19(24),20,22-undecaene?

The InChIKey is CZBMFGHCEMBUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N6.2C45H29N3/c1-6-18-35(19-7-1)48-50-44-34-39(53-57-51(36-20-8-2-9-21-36)56-52(58-53)37-22-10-3-11-23-37)30-31-41(44)42-32-33-46-47(49(42)60(50)54(55-48)38-24-12-4-13-25-38)43-28-16-17-29-45(43)59(46)40-26-14-5-15-27-40;1-5-15-30(16-6-1)33-25-26-35-37(29-33)42-40(28-27-39-41(42)36-23-13-14-24-38(36)47(39)34-21-11-4-12-22-34)48-44(35)43(31-17-7-2-8-18-31)46-45(48)32-19-9-3-10-20-32;1-5-15-30(16-6-1)33-25-26-36-38(29-33)44-42(31-17-7-2-8-18-31)46-45(32-19-9-3-10-20-32)48(44)40-28-27-37-35-23-13-14-24-39(35)47(43(37)41(36)40)34-21-11-4-12-22-34/h1-34H;2*1-29H.

What are the key properties of 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21,23-triphenyl-9,22,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;3,15,17,21-tetraphenyl-3,14,16-triazahexacyclo[11.11.0.02,10.04,9.014,18.019,24]tetracosa-1(13),2(10),4,6,8,11,15,17,19(24),20,22-undecaene;9,15,17,22-tetraphenyl-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19(24),20,22-undecaene?

17-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21,23-triphenyl-9,22,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;3,15,17,21-tetraphenyl-3,14,16-triazahexacyclo[11.11.0.02,10.04,9.014,18.019,24]tetracosa-1(13),2(10),4,6,8,11,15,17,19(24),20,22-undecaene;9,15,17,22-tetraphenyl-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19(24),20,22-undecaene has a molecular weight of 1990.40 g/mol, XLogP of 36.74, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21,23-triphenyl-9,22,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;3,15,17,21-tetraphenyl-3,14,16-triazahexacyclo[11.11.0.02,10.04,9.014,18.019,24]tetracosa-1(13),2(10),4,6,8,11,15,17,19(24),20,22-undecaene;9,15,17,22-tetraphenyl-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19(24),20,22-undecaene is sourced from PubChem (CID 163506585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).