14-phenyl-11-(3-pyridin-2-ylisoquinolin-7-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(2-pyridin-2-yl-4-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-2-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-3-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene

C144H86N12O4 — CID 158005831

About 14-phenyl-11-(3-pyridin-2-ylisoquinolin-7-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(2-pyridin-2-yl-4-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-2-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-3-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene

14-phenyl-11-(3-pyridin-2-ylisoquinolin-7-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(2-pyridin-2-yl-4-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-2-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-3-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene (PubChem CID 158005831) has the molecular formula C144H86N12O4 and a molecular weight of 2048.35 g/mol. Its IUPAC name is 14-phenyl-11-(3-pyridin-2-ylisoquinolin-7-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(2-pyridin-2-yl-4-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-2-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-3-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 14-phenyl-11-(3-pyridin-2-ylisoquinolin-7-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(2-pyridin-2-yl-4-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-2-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-3-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
• PubChem CID: 158005831
• Molecular Formula: C144H86N12O4
• Molecular Weight: 2048.35 g/mol
• Exact Mass: 2046.69
• IUPAC Name: 14-phenyl-11-(3-pyridin-2-ylisoquinolin-7-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(2-pyridin-2-yl-4-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-2-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-3-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
• SMILES: c1ccc(-c2nc3ccccc3c3c2cc(-c2ccc(-c4ccccn4)nc2)c2oc4ccccc4c23)cc1.c1ccc(-c2nc3ccccc3c3c2cc(-c2ccc4cc(-c5ccccn5)ncc4c2)c2oc4ccccc4c23)cc1.c1ccc(-c2nc3ccccc3c3c2cc(-c2cccc(-c4ccccn4)n2)c2oc4ccccc4c23)cc1.c1ccc(-c2nc3ccccc3c3c2cc(-c2ccnc(-c4ccccn4)c2)c2oc4ccccc4c23)cc1
• InChI: InChI=1S/C39H23N3O.3C35H21N3O/c1-2-10-24(11-3-1)38-31-22-30(26-18-17-25-21-34(41-23-27(25)20-26)33-15-8-9-19-40-33)39-37(29-13-5-7-16-35(29)43-39)36(31)28-12-4-6-14-32(28)42-38;1-2-11-22(12-3-1)34-26-21-25(28-17-10-18-30(37-28)29-16-8-9-20-36-29)35-33(24-14-5-7-19-31(24)39-35)32(26)23-13-4-6-15-27(23)38-34;1-2-10-22(11-3-1)34-27-20-26(23-17-18-30(37-21-23)29-15-8-9-19-36-29)35-33(25-13-5-7-16-31(25)39-35)32(27)24-12-4-6-14-28(24)38-34;1-2-10-22(11-3-1)34-27-21-26(23-17-19-37-30(20-23)29-15-8-9-18-36-29)35-33(25-13-5-7-16-31(25)39-35)32(27)24-12-4-6-14-28(24)38-34/h1-23H;3*1-21H
• InChIKey: FEGXYJSUTKFLDC-UHFFFAOYSA-N
• XLogP: 37.47
• TPSA: 207.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2048.35
LogP ≤ 5	37.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-phenyl-11-(3-pyridin-2-ylisoquinolin-7-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(2-pyridin-2-yl-4-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-2-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-3-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

The IUPAC name of 14-phenyl-11-(3-pyridin-2-ylisoquinolin-7-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(2-pyridin-2-yl-4-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-2-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-3-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene (CID 158005831) is 14-phenyl-11-(3-pyridin-2-ylisoquinolin-7-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(2-pyridin-2-yl-4-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-2-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-3-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene.

What is the SMILES notation for 14-phenyl-11-(3-pyridin-2-ylisoquinolin-7-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(2-pyridin-2-yl-4-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-2-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-3-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

The canonical SMILES for 14-phenyl-11-(3-pyridin-2-ylisoquinolin-7-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(2-pyridin-2-yl-4-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-2-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-3-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene is c1ccc(-c2nc3ccccc3c3c2cc(-c2ccc(-c4ccccn4)nc2)c2oc4ccccc4c23)cc1.c1ccc(-c2nc3ccccc3c3c2cc(-c2ccc4cc(-c5ccccn5)ncc4c2)c2oc4ccccc4c23)cc1.c1ccc(-c2nc3ccccc3c3c2cc(-c2cccc(-c4ccccn4)n2)c2oc4ccccc4c23)cc1.c1ccc(-c2nc3ccccc3c3c2cc(-c2ccnc(-c4ccccn4)c2)c2oc4ccccc4c23)cc1.

What is the InChIKey of 14-phenyl-11-(3-pyridin-2-ylisoquinolin-7-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(2-pyridin-2-yl-4-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-2-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-3-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

The InChIKey is FEGXYJSUTKFLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N3O.3C35H21N3O/c1-2-10-24(11-3-1)38-31-22-30(26-18-17-25-21-34(41-23-27(25)20-26)33-15-8-9-19-40-33)39-37(29-13-5-7-16-35(29)43-39)36(31)28-12-4-6-14-32(28)42-38;1-2-11-22(12-3-1)34-26-21-25(28-17-10-18-30(37-28)29-16-8-9-20-36-29)35-33(24-14-5-7-19-31(24)39-35)32(26)23-13-4-6-15-27(23)38-34;1-2-10-22(11-3-1)34-27-20-26(23-17-18-30(37-21-23)29-15-8-9-19-36-29)35-33(25-13-5-7-16-31(25)39-35)32(27)24-12-4-6-14-28(24)38-34;1-2-10-22(11-3-1)34-27-21-26(23-17-19-37-30(20-23)29-15-8-9-18-36-29)35-33(25-13-5-7-16-31(25)39-35)32(27)24-12-4-6-14-28(24)38-34/h1-23H;3*1-21H.

What are the key properties of 14-phenyl-11-(3-pyridin-2-ylisoquinolin-7-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(2-pyridin-2-yl-4-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-2-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-3-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

14-phenyl-11-(3-pyridin-2-ylisoquinolin-7-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(2-pyridin-2-yl-4-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-2-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-3-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene has a molecular weight of 2048.35 g/mol, XLogP of 37.47, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 14-phenyl-11-(3-pyridin-2-ylisoquinolin-7-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(2-pyridin-2-yl-4-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-2-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-3-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene is sourced from PubChem (CID 158005831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).