14-phenyl-7-(3-phenylquinolin-7-yl)-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

C40H24N2O — CID 166009728

About 14-phenyl-7-(3-phenylquinolin-7-yl)-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

14-phenyl-7-(3-phenylquinolin-7-yl)-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 166009728) has the molecular formula C40H24N2O and a molecular weight of 548.65 g/mol. Its IUPAC name is 14-phenyl-7-(3-phenylquinolin-7-yl)-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: 14-phenyl-7-(3-phenylquinolin-7-yl)-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: 166009728
• Molecular Formula: C40H24N2O
• Molecular Weight: 548.65 g/mol
• Exact Mass: 548.19
• IUPAC Name: 14-phenyl-7-(3-phenylquinolin-7-yl)-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(-c2cnc3cc(-c4ccc5oc6c(ccc7c(-c8ccccc8)nc8ccccc8c76)c5c4)ccc3c2)cc1
• InChI: InChI=1S/C40H24N2O/c1-3-9-25(10-4-1)30-21-29-16-15-28(23-36(29)41-24-30)27-17-20-37-34(22-27)31-18-19-33-38(40(31)43-37)32-13-7-8-14-35(32)42-39(33)26-11-5-2-6-12-26/h1-24H
• InChIKey: MFENVOURPJHOLX-UHFFFAOYSA-N
• XLogP: 10.84
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.65
LogP ≤ 5	10.84
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 14-phenyl-7-(3-phenylquinolin-7-yl)-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 14-phenyl-7-(3-phenylquinolin-7-yl)-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 166009728) is 14-phenyl-7-(3-phenylquinolin-7-yl)-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 14-phenyl-7-(3-phenylquinolin-7-yl)-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 14-phenyl-7-(3-phenylquinolin-7-yl)-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(-c2cnc3cc(-c4ccc5oc6c(ccc7c(-c8ccccc8)nc8ccccc8c76)c5c4)ccc3c2)cc1.

What is the InChIKey of 14-phenyl-7-(3-phenylquinolin-7-yl)-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 MFENVOURPJHOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O/c1-3-9-25(10-4-1)30-21-29-16-15-28(23-36(29)41-24-30)27-17-20-37-34(22-27)31-18-19-33-38(40(31)43-37)32-13-7-8-14-35(32)42-39(33)26-11-5-2-6-12-26/h1-24H.

What are the key properties of 14-phenyl-7-(3-phenylquinolin-7-yl)-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?

14-phenyl-7-(3-phenylquinolin-7-yl)-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 548.65 g/mol, XLogP of 10.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14-phenyl-7-(3-phenylquinolin-7-yl)-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 166009728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).