24-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-phenyl-24-pyren-1-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

C146H86N14O3 — CID 157217790

About 24-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-phenyl-24-pyren-1-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

24-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-phenyl-24-pyren-1-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene (PubChem CID 157217790) has the molecular formula C146H86N14O3 and a molecular weight of 2084.39 g/mol. Its IUPAC name is 24-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-phenyl-24-pyren-1-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene.

Molecular Properties

• Compound Name: 24-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-phenyl-24-pyren-1-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
• PubChem CID: 157217790
• Molecular Formula: C146H86N14O3
• Molecular Weight: 2084.39 g/mol
• Exact Mass: 2082.70
• IUPAC Name: 24-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-phenyl-24-pyren-1-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c45)cn3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c45)nc3)n2)cc1.c1ccc(-n2c3ccc4c5ccccc5oc4c3c3ccc4c(c5ccccc5n4-c4ccc5ccc6cccc7ccc4c5c67)c32)cc1
• InChI: InChI=1S/2C50H30N6O.C46H26N2O/c1-4-14-31(15-5-1)48-52-49(32-16-6-2-7-17-32)54-50(53-48)33-24-29-43(51-30-33)56-39-22-12-10-21-37(39)44-40(56)28-26-38-45-41(55(46(38)44)34-18-8-3-9-19-34)27-25-36-35-20-11-13-23-42(35)57-47(36)45;1-4-14-31(15-5-1)48-52-49(32-16-6-2-7-17-32)54-50(53-48)39-27-24-34(30-51-39)55-40-22-12-10-21-37(40)44-41(55)29-26-38-45-42(56(46(38)44)33-18-8-3-9-19-33)28-25-36-35-20-11-13-23-43(35)57-47(36)45;1-2-11-30(12-3-1)47-39-25-22-32-31-13-5-7-16-40(31)49-46(32)44(39)35-23-26-38-43(45(35)47)33-14-4-6-15-36(33)48(38)37-24-20-29-18-17-27-9-8-10-28-19-21-34(37)42(29)41(27)28/h2*1-30H;1-26H
• InChIKey: ASPUKXOTYBUHFH-UHFFFAOYSA-N
• XLogP: 37.40
• TPSA: 172.12 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2084.39
LogP ≤ 5	37.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 24-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-phenyl-24-pyren-1-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

The IUPAC name of 24-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-phenyl-24-pyren-1-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene (CID 157217790) is 24-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-phenyl-24-pyren-1-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene.

What is the SMILES notation for 24-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-phenyl-24-pyren-1-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

The canonical SMILES for 24-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-phenyl-24-pyren-1-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c45)cn3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c45)nc3)n2)cc1.c1ccc(-n2c3ccc4c5ccccc5oc4c3c3ccc4c(c5ccccc5n4-c4ccc5ccc6cccc7ccc4c5c67)c32)cc1.

What is the InChIKey of 24-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-phenyl-24-pyren-1-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

The InChIKey is ASPUKXOTYBUHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H30N6O.C46H26N2O/c1-4-14-31(15-5-1)48-52-49(32-16-6-2-7-17-32)54-50(53-48)33-24-29-43(51-30-33)56-39-22-12-10-21-37(39)44-40(56)28-26-38-45-41(55(46(38)44)34-18-8-3-9-19-34)27-25-36-35-20-11-13-23-42(35)57-47(36)45;1-4-14-31(15-5-1)48-52-49(32-16-6-2-7-17-32)54-50(53-48)39-27-24-34(30-51-39)55-40-22-12-10-21-37(40)44-41(55)29-26-38-45-42(56(46(38)44)33-18-8-3-9-19-33)28-25-36-35-20-11-13-23-43(35)57-47(36)45;1-2-11-30(12-3-1)47-39-25-22-32-31-13-5-7-16-40(31)49-46(32)44(39)35-23-26-38-43(45(35)47)33-14-4-6-15-36(33)48(38)37-24-20-29-18-17-27-9-8-10-28-19-21-34(37)42(29)41(27)28/h2*1-30H;1-26H.

What are the key properties of 24-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-phenyl-24-pyren-1-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

24-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-phenyl-24-pyren-1-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene has a molecular weight of 2084.39 g/mol, XLogP of 37.40, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 24-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-phenyl-24-pyren-1-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 157217790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).