23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-pyridin-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(5-pyridin-2-yl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene

C137H85N11 — CID 158709470

About 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-pyridin-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(5-pyridin-2-yl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene

23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-pyridin-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(5-pyridin-2-yl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene (PubChem CID 158709470) has the molecular formula C137H85N11 and a molecular weight of 1885.26 g/mol. Its IUPAC name is 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-pyridin-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(5-pyridin-2-yl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene.

Molecular Properties

• Compound Name: 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-pyridin-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(5-pyridin-2-yl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene
• PubChem CID: 158709470
• Molecular Formula: C137H85N11
• Molecular Weight: 1885.26 g/mol
• Exact Mass: 1883.70
• IUPAC Name: 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-pyridin-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(5-pyridin-2-yl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4cc5c6ccccc6c6ccccc6c5cc43)nc2)nc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc5c6ccccc6c6ccccc6c5cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6ccccc6c6ccccc6c5cc43)n2)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccccc5c5ccccc5c4cc32)nc1
• InChI: InChI=1S/C39H24N4.C35H22N2.C34H21N3.C29H18N2/c1-3-13-25(14-4-1)37-40-38(26-15-5-2-6-16-26)42-39(41-37)43-35-22-12-11-21-31(35)34-23-32-29-19-9-7-17-27(29)28-18-8-10-20-30(28)33(32)24-36(34)43;1-2-11-23(12-3-1)32-18-10-20-35(36-32)37-33-19-9-8-17-28(33)31-21-29-26-15-6-4-13-24(26)25-14-5-7-16-27(25)30(29)22-34(31)37;1-3-11-25-23(9-1)24-10-2-4-12-26(24)29-20-33-30(19-28(25)29)27-13-5-6-15-32(27)37(33)34-17-16-22(21-36-34)31-14-7-8-18-35-31;1-3-11-21-19(9-1)20-10-2-4-12-22(20)25-18-28-26(17-24(21)25)23-13-5-6-14-27(23)31(28)29-15-7-8-16-30-29/h1-24H;1-22H;1-21H;1-18H
• InChIKey: IINRQYMZIAPCFT-UHFFFAOYSA-N
• XLogP: 35.41
• TPSA: 109.95 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1885.26
LogP ≤ 5	35.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-pyridin-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(5-pyridin-2-yl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene?

The IUPAC name of 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-pyridin-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(5-pyridin-2-yl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene (CID 158709470) is 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-pyridin-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(5-pyridin-2-yl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene.

What is the SMILES notation for 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-pyridin-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(5-pyridin-2-yl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene?

The canonical SMILES for 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-pyridin-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(5-pyridin-2-yl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene is c1ccc(-c2ccc(-n3c4ccccc4c4cc5c6ccccc6c6ccccc6c5cc43)nc2)nc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc5c6ccccc6c6ccccc6c5cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6ccccc6c6ccccc6c5cc43)n2)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccccc5c5ccccc5c4cc32)nc1.

What is the InChIKey of 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-pyridin-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(5-pyridin-2-yl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene?

The InChIKey is IINRQYMZIAPCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4.C35H22N2.C34H21N3.C29H18N2/c1-3-13-25(14-4-1)37-40-38(26-15-5-2-6-16-26)42-39(41-37)43-35-22-12-11-21-31(35)34-23-32-29-19-9-7-17-27(29)28-18-8-10-20-30(28)33(32)24-36(34)43;1-2-11-23(12-3-1)32-18-10-20-35(36-32)37-33-19-9-8-17-28(33)31-21-29-26-15-6-4-13-24(26)25-14-5-7-16-27(25)30(29)22-34(31)37;1-3-11-25-23(9-1)24-10-2-4-12-26(24)29-20-33-30(19-28(25)29)27-13-5-6-15-32(27)37(33)34-17-16-22(21-36-34)31-14-7-8-18-35-31;1-3-11-21-19(9-1)20-10-2-4-12-22(20)25-18-28-26(17-24(21)25)23-13-5-6-14-27(23)31(28)29-15-7-8-16-30-29/h1-24H;1-22H;1-21H;1-18H.

What are the key properties of 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-pyridin-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(5-pyridin-2-yl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene?

23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-pyridin-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(5-pyridin-2-yl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene has a molecular weight of 1885.26 g/mol, XLogP of 35.41, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-pyridin-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(5-pyridin-2-yl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene is sourced from PubChem (CID 158709470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).