13-(3-dibenzofuran-2-ylphenyl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

C43H27NO — CID 145273046

About 13-(3-dibenzofuran-2-ylphenyl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

13-(3-dibenzofuran-2-ylphenyl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (PubChem CID 145273046) has the molecular formula C43H27NO and a molecular weight of 573.70 g/mol. Its IUPAC name is 13-(3-dibenzofuran-2-ylphenyl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

Molecular Properties

• Compound Name: 13-(3-dibenzofuran-2-ylphenyl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
• PubChem CID: 145273046
• Molecular Formula: C43H27NO
• Molecular Weight: 573.70 g/mol
• Exact Mass: 573.21
• IUPAC Name: 13-(3-dibenzofuran-2-ylphenyl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
• SMILES: c1ccc(C2(c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c3ccccc3-n3c4ccccc4c4cccc2c43)cc1
• InChI: InChI=1S/C43H27NO/c1-2-13-30(14-3-1)43(31-15-10-12-28(26-31)29-24-25-41-35(27-29)33-17-5-9-23-40(33)45-41)36-19-6-8-22-39(36)44-38-21-7-4-16-32(38)34-18-11-20-37(43)42(34)44/h1-27H
• InChIKey: OURUNTPQUSPKEJ-UHFFFAOYSA-N
• XLogP: 11.05
• TPSA: 18.07 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.70
LogP ≤ 5	11.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 13-(3-dibenzofuran-2-ylphenyl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?

The IUPAC name of 13-(3-dibenzofuran-2-ylphenyl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (CID 145273046) is 13-(3-dibenzofuran-2-ylphenyl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

What is the SMILES notation for 13-(3-dibenzofuran-2-ylphenyl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?

The canonical SMILES for 13-(3-dibenzofuran-2-ylphenyl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is c1ccc(C2(c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.

What is the InChIKey of 13-(3-dibenzofuran-2-ylphenyl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?

The InChIKey is OURUNTPQUSPKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NO/c1-2-13-30(14-3-1)43(31-15-10-12-28(26-31)29-24-25-41-35(27-29)33-17-5-9-23-40(33)45-41)36-19-6-8-22-39(36)44-38-21-7-4-16-32(38)34-18-11-20-37(43)42(34)44/h1-27H.

What are the key properties of 13-(3-dibenzofuran-2-ylphenyl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?

13-(3-dibenzofuran-2-ylphenyl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene has a molecular weight of 573.70 g/mol, XLogP of 11.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 13-(3-dibenzofuran-2-ylphenyl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 145273046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).