15-(2,6-diphenyl-4-pyridinyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(4-naphthalen-1-ylphenyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(6-phenylphenanthridin-3-yl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

C109H65N5O3 — CID 159011642

About 15-(2,6-diphenyl-4-pyridinyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(4-naphthalen-1-ylphenyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(6-phenylphenanthridin-3-yl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

15-(2,6-diphenyl-4-pyridinyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(4-naphthalen-1-ylphenyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(6-phenylphenanthridin-3-yl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (PubChem CID 159011642) has the molecular formula C109H65N5O3 and a molecular weight of 1492.75 g/mol. Its IUPAC name is 15-(2,6-diphenyl-4-pyridinyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(4-naphthalen-1-ylphenyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(6-phenylphenanthridin-3-yl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 15-(2,6-diphenyl-4-pyridinyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(4-naphthalen-1-ylphenyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(6-phenylphenanthridin-3-yl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
• PubChem CID: 159011642
• Molecular Formula: C109H65N5O3
• Molecular Weight: 1492.75 g/mol
• Exact Mass: 1491.51
• IUPAC Name: 15-(2,6-diphenyl-4-pyridinyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(4-naphthalen-1-ylphenyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(6-phenylphenanthridin-3-yl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
• SMILES: c1ccc(-c2cc(-c3nc4ccc5c6ccccc6oc5c4c4ccccc34)cc(-c3ccccc3)n2)cc1.c1ccc(-c2nc3cc(-c4nc5ccc6c7ccccc7oc6c5c5ccccc45)ccc3c3ccccc23)cc1.c1ccc2c(-c3ccc(-c4nc5ccc6c7ccccc7oc6c5c5ccccc45)cc3)cccc2c1
• InChI: InChI=1S/C38H22N2O.C36H22N2O.C35H21NO/c1-2-10-23(11-3-1)36-29-15-6-4-12-25(29)26-19-18-24(22-33(26)40-36)37-30-16-7-5-14-28(30)35-32(39-37)21-20-31-27-13-8-9-17-34(27)41-38(31)35;1-3-11-23(12-4-1)31-21-25(22-32(37-31)24-13-5-2-6-14-24)35-28-17-8-7-16-27(28)34-30(38-35)20-19-29-26-15-9-10-18-33(26)39-36(29)34;1-2-10-25-22(8-1)9-7-14-26(25)23-16-18-24(19-17-23)34-29-13-4-3-12-28(29)33-31(36-34)21-20-30-27-11-5-6-15-32(27)37-35(30)33/h1-22H;1-22H;1-21H
• InChIKey: JSOHTLVUTIQSKR-UHFFFAOYSA-N
• XLogP: 29.78
• TPSA: 103.87 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1492.75
LogP ≤ 5	29.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-(2,6-diphenyl-4-pyridinyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(4-naphthalen-1-ylphenyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(6-phenylphenanthridin-3-yl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

The IUPAC name of 15-(2,6-diphenyl-4-pyridinyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(4-naphthalen-1-ylphenyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(6-phenylphenanthridin-3-yl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (CID 159011642) is 15-(2,6-diphenyl-4-pyridinyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(4-naphthalen-1-ylphenyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(6-phenylphenanthridin-3-yl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.

What is the SMILES notation for 15-(2,6-diphenyl-4-pyridinyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(4-naphthalen-1-ylphenyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(6-phenylphenanthridin-3-yl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

The canonical SMILES for 15-(2,6-diphenyl-4-pyridinyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(4-naphthalen-1-ylphenyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(6-phenylphenanthridin-3-yl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is c1ccc(-c2cc(-c3nc4ccc5c6ccccc6oc5c4c4ccccc34)cc(-c3ccccc3)n2)cc1.c1ccc(-c2nc3cc(-c4nc5ccc6c7ccccc7oc6c5c5ccccc45)ccc3c3ccccc23)cc1.c1ccc2c(-c3ccc(-c4nc5ccc6c7ccccc7oc6c5c5ccccc45)cc3)cccc2c1.

What is the InChIKey of 15-(2,6-diphenyl-4-pyridinyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(4-naphthalen-1-ylphenyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(6-phenylphenanthridin-3-yl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

The InChIKey is JSOHTLVUTIQSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N2O.C36H22N2O.C35H21NO/c1-2-10-23(11-3-1)36-29-15-6-4-12-25(29)26-19-18-24(22-33(26)40-36)37-30-16-7-5-14-28(30)35-32(39-37)21-20-31-27-13-8-9-17-34(27)41-38(31)35;1-3-11-23(12-4-1)31-21-25(22-32(37-31)24-13-5-2-6-14-24)35-28-17-8-7-16-27(28)34-30(38-35)20-19-29-26-15-9-10-18-33(26)39-36(29)34;1-2-10-25-22(8-1)9-7-14-26(25)23-16-18-24(19-17-23)34-29-13-4-3-12-28(29)33-31(36-34)21-20-30-27-11-5-6-15-32(27)37-35(30)33/h1-22H;1-22H;1-21H.

What are the key properties of 15-(2,6-diphenyl-4-pyridinyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(4-naphthalen-1-ylphenyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(6-phenylphenanthridin-3-yl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

15-(2,6-diphenyl-4-pyridinyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(4-naphthalen-1-ylphenyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(6-phenylphenanthridin-3-yl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene has a molecular weight of 1492.75 g/mol, XLogP of 29.78, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(2,6-diphenyl-4-pyridinyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(4-naphthalen-1-ylphenyl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;15-(6-phenylphenanthridin-3-yl)-3-oxa-14-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is sourced from PubChem (CID 159011642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).