14-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-2-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

C49H29NO2 — CID 148805623

About 14-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-2-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

14-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-2-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 148805623) has the molecular formula C49H29NO2 and a molecular weight of 663.78 g/mol. Its IUPAC name is 14-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-2-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: 14-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-2-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: 148805623
• Molecular Formula: C49H29NO2
• Molecular Weight: 663.78 g/mol
• Exact Mass: 663.22
• IUPAC Name: 14-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-2-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(-c2c3c(cc4c(-c5ccc(-c6cccc(-c7ccc8c(c7)oc7ccccc78)c6)cc5)nc5ccccc5c24)oc2ccccc23)cc1
• InChI: InChI=1S/C49H29NO2/c1-2-11-31(12-3-1)46-47-38-16-4-7-18-41(38)50-49(40(47)29-45-48(46)39-17-6-9-20-43(39)52-45)32-23-21-30(22-24-32)33-13-10-14-34(27-33)35-25-26-37-36-15-5-8-19-42(36)51-44(37)28-35/h1-29H
• InChIKey: OOXBZZTZMQJILN-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 39.17 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.78
LogP ≤ 5	13.85
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-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-2-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 14-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-2-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 148805623) is 14-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-2-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 14-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-2-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 14-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-2-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(-c2c3c(cc4c(-c5ccc(-c6cccc(-c7ccc8c(c7)oc7ccccc78)c6)cc5)nc5ccccc5c24)oc2ccccc23)cc1.

What is the InChIKey of 14-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-2-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 OOXBZZTZMQJILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29NO2/c1-2-11-31(12-3-1)46-47-38-16-4-7-18-41(38)50-49(40(47)29-45-48(46)39-17-6-9-20-43(39)52-45)32-23-21-30(22-24-32)33-13-10-14-34(27-33)35-25-26-37-36-15-5-8-19-42(36)51-44(37)28-35/h1-29H.

What are the key properties of 14-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-2-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?

14-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-2-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 663.78 g/mol, XLogP of 13.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-2-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 148805623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).