7-[3-(9,9-diphenylacridin-10-yl)phenyl]-14-phenyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene

C56H36N2O — CID 166009795

About 7-[3-(9,9-diphenylacridin-10-yl)phenyl]-14-phenyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene

7-[3-(9,9-diphenylacridin-10-yl)phenyl]-14-phenyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene (PubChem CID 166009795) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is 7-[3-(9,9-diphenylacridin-10-yl)phenyl]-14-phenyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 7-[3-(9,9-diphenylacridin-10-yl)phenyl]-14-phenyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
• PubChem CID: 166009795
• Molecular Formula: C56H36N2O
• Molecular Weight: 752.92 g/mol
• Exact Mass: 752.28
• IUPAC Name: 7-[3-(9,9-diphenylacridin-10-yl)phenyl]-14-phenyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
• SMILES: c1ccc(-c2nc3ccccc3c3c2ccc2c4cc(-c5cccc(N6c7ccccc7C(c7ccccc7)(c7ccccc7)c7ccccc76)c5)ccc4oc23)cc1
• InChI: InChI=1S/C56H36N2O/c1-4-17-37(18-5-1)54-45-33-32-43-46-36-39(31-34-52(46)59-55(43)53(45)44-25-10-13-28-49(44)57-54)38-19-16-24-42(35-38)58-50-29-14-11-26-47(50)56(40-20-6-2-7-21-40,41-22-8-3-9-23-41)48-27-12-15-30-51(48)58/h1-36H
• InChIKey: QGVPQROGPOWKHW-UHFFFAOYSA-N
• XLogP: 14.79
• TPSA: 29.27 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.92
LogP ≤ 5	14.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[3-(9,9-diphenylacridin-10-yl)phenyl]-14-phenyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene?

The IUPAC name of 7-[3-(9,9-diphenylacridin-10-yl)phenyl]-14-phenyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene (CID 166009795) is 7-[3-(9,9-diphenylacridin-10-yl)phenyl]-14-phenyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene.

What is the SMILES notation for 7-[3-(9,9-diphenylacridin-10-yl)phenyl]-14-phenyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene?

The canonical SMILES for 7-[3-(9,9-diphenylacridin-10-yl)phenyl]-14-phenyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene is c1ccc(-c2nc3ccccc3c3c2ccc2c4cc(-c5cccc(N6c7ccccc7C(c7ccccc7)(c7ccccc7)c7ccccc76)c5)ccc4oc23)cc1.

What is the InChIKey of 7-[3-(9,9-diphenylacridin-10-yl)phenyl]-14-phenyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene?

The InChIKey is QGVPQROGPOWKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-4-17-37(18-5-1)54-45-33-32-43-46-36-39(31-34-52(46)59-55(43)53(45)44-25-10-13-28-49(44)57-54)38-19-16-24-42(35-38)58-50-29-14-11-26-47(50)56(40-20-6-2-7-21-40,41-22-8-3-9-23-41)48-27-12-15-30-51(48)58/h1-36H.

What are the key properties of 7-[3-(9,9-diphenylacridin-10-yl)phenyl]-14-phenyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene?

7-[3-(9,9-diphenylacridin-10-yl)phenyl]-14-phenyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene has a molecular weight of 752.92 g/mol, XLogP of 14.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(9,9-diphenylacridin-10-yl)phenyl]-14-phenyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene is sourced from PubChem (CID 166009795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).