2-(3-phenanthren-9-ylphenyl)-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(3-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(4-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C147H89N3O3 — CID 157259823

About 2-(3-phenanthren-9-ylphenyl)-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(3-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(4-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

2-(3-phenanthren-9-ylphenyl)-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(3-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(4-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 157259823) has the molecular formula C147H89N3O3 and a molecular weight of 1945.35 g/mol. Its IUPAC name is 2-(3-phenanthren-9-ylphenyl)-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(3-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(4-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 2-(3-phenanthren-9-ylphenyl)-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(3-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(4-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• PubChem CID: 157259823
• Molecular Formula: C147H89N3O3
• Molecular Weight: 1945.35 g/mol
• Exact Mass: 1943.69
• IUPAC Name: 2-(3-phenanthren-9-ylphenyl)-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(3-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(4-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• SMILES: c1ccc(-c2nc3ccccc3c3c(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)c4c(cc23)oc2ccccc24)cc1.c1ccc(-c2nc3ccccc3c3c(-c4cccc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c4)c4c(cc23)oc2ccccc24)cc1.c1ccc(-c2nc3ccccc3c3c(-c4cccc(-c5cccc(-c6cc7ccccc7c7ccccc67)c5)c4)c4c(cc23)oc2ccccc24)cc1
• InChI: InChI=1S/2C51H31NO.C45H27NO/c1-2-14-32(15-3-1)51-44-31-47-50(42-25-9-11-27-46(42)53-47)48(49(44)41-24-8-10-26-45(41)52-51)37-20-13-18-34(29-37)33-17-12-19-35(28-33)43-30-36-16-4-5-21-38(36)39-22-6-7-23-40(39)43;1-2-13-34(14-3-1)51-44-31-47-50(42-22-9-11-24-46(42)53-47)48(49(44)41-21-8-10-23-45(41)52-51)37-17-12-16-35(29-37)32-25-27-33(28-26-32)43-30-36-15-4-5-18-38(36)39-19-6-7-20-40(39)43;1-2-13-28(14-3-1)45-38-27-41-44(36-22-9-11-24-40(36)47-41)42(43(38)35-21-8-10-23-39(35)46-45)31-17-12-16-29(25-31)37-26-30-15-4-5-18-32(30)33-19-6-7-20-34(33)37/h2*1-31H;1-27H
• InChIKey: AXIBRBUZJYGHED-UHFFFAOYSA-N
• XLogP: 41.12
• TPSA: 78.09 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1945.35
LogP ≤ 5	41.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenanthren-9-ylphenyl)-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(3-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(4-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The IUPAC name of 2-(3-phenanthren-9-ylphenyl)-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(3-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(4-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 157259823) is 2-(3-phenanthren-9-ylphenyl)-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(3-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(4-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

What is the SMILES notation for 2-(3-phenanthren-9-ylphenyl)-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(3-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(4-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The canonical SMILES for 2-(3-phenanthren-9-ylphenyl)-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(3-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(4-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is c1ccc(-c2nc3ccccc3c3c(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)c4c(cc23)oc2ccccc24)cc1.c1ccc(-c2nc3ccccc3c3c(-c4cccc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c4)c4c(cc23)oc2ccccc24)cc1.c1ccc(-c2nc3ccccc3c3c(-c4cccc(-c5cccc(-c6cc7ccccc7c7ccccc67)c5)c4)c4c(cc23)oc2ccccc24)cc1.

What is the InChIKey of 2-(3-phenanthren-9-ylphenyl)-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(3-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(4-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The InChIKey is AXIBRBUZJYGHED-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H31NO.C45H27NO/c1-2-14-32(15-3-1)51-44-31-47-50(42-25-9-11-27-46(42)53-47)48(49(44)41-24-8-10-26-45(41)52-51)37-20-13-18-34(29-37)33-17-12-19-35(28-33)43-30-36-16-4-5-21-38(36)39-22-6-7-23-40(39)43;1-2-13-34(14-3-1)51-44-31-47-50(42-22-9-11-24-46(42)53-47)48(49(44)41-21-8-10-23-45(41)52-51)37-17-12-16-35(29-37)32-25-27-33(28-26-32)43-30-36-15-4-5-18-38(36)39-19-6-7-20-40(39)43;1-2-13-28(14-3-1)45-38-27-41-44(36-22-9-11-24-40(36)47-41)42(43(38)35-21-8-10-23-39(35)46-45)31-17-12-16-29(25-31)37-26-30-15-4-5-18-32(30)33-19-6-7-20-34(33)37/h2*1-31H;1-27H.

What are the key properties of 2-(3-phenanthren-9-ylphenyl)-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(3-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(4-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

2-(3-phenanthren-9-ylphenyl)-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(3-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(4-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 1945.35 g/mol, XLogP of 41.12, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-phenanthren-9-ylphenyl)-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(3-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(4-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 157259823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).