16-N-dibenzofuran-2-yl-5-N-dibenzofuran-4-yl-5-N-phenyl-16-N-(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine

C62H38N2O3 — CID 121295885

About 16-N-dibenzofuran-2-yl-5-N-dibenzofuran-4-yl-5-N-phenyl-16-N-(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine

16-N-dibenzofuran-2-yl-5-N-dibenzofuran-4-yl-5-N-phenyl-16-N-(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine (PubChem CID 121295885) has the molecular formula C62H38N2O3 and a molecular weight of 859.00 g/mol. Its IUPAC name is 16-N-dibenzofuran-2-yl-5-N-dibenzofuran-4-yl-5-N-phenyl-16-N-(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine.

Molecular Properties

• Compound Name: 16-N-dibenzofuran-2-yl-5-N-dibenzofuran-4-yl-5-N-phenyl-16-N-(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
• PubChem CID: 121295885
• Molecular Formula: C62H38N2O3
• Molecular Weight: 859.00 g/mol
• Exact Mass: 858.29
• IUPAC Name: 16-N-dibenzofuran-2-yl-5-N-dibenzofuran-4-yl-5-N-phenyl-16-N-(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
• SMILES: c1ccc(-c2ccccc2N(c2ccc3cc4c5c(cccc5c3c2)Oc2cc(N(c3ccccc3)c3cccc5c3oc3ccccc35)ccc2-4)c2ccc3oc4ccccc4c3c2)cc1
• InChI: InChI=1S/C62H38N2O3/c1-3-15-39(16-4-1)45-19-7-10-24-54(45)64(43-32-34-58-52(37-43)47-21-9-11-26-56(47)65-58)42-30-29-40-35-53-48-33-31-44(38-60(48)66-59-28-14-22-49(61(53)59)51(40)36-42)63(41-17-5-2-6-18-41)55-25-13-23-50-46-20-8-12-27-57(46)67-62(50)55/h1-38H
• InChIKey: GUWFZQKHXBQBQH-UHFFFAOYSA-N
• XLogP: 18.17
• TPSA: 41.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.00
LogP ≤ 5	18.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 16-N-dibenzofuran-2-yl-5-N-dibenzofuran-4-yl-5-N-phenyl-16-N-(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

The IUPAC name of 16-N-dibenzofuran-2-yl-5-N-dibenzofuran-4-yl-5-N-phenyl-16-N-(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine (CID 121295885) is 16-N-dibenzofuran-2-yl-5-N-dibenzofuran-4-yl-5-N-phenyl-16-N-(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine.

What is the SMILES notation for 16-N-dibenzofuran-2-yl-5-N-dibenzofuran-4-yl-5-N-phenyl-16-N-(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

The canonical SMILES for 16-N-dibenzofuran-2-yl-5-N-dibenzofuran-4-yl-5-N-phenyl-16-N-(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine is c1ccc(-c2ccccc2N(c2ccc3cc4c5c(cccc5c3c2)Oc2cc(N(c3ccccc3)c3cccc5c3oc3ccccc35)ccc2-4)c2ccc3oc4ccccc4c3c2)cc1.

What is the InChIKey of 16-N-dibenzofuran-2-yl-5-N-dibenzofuran-4-yl-5-N-phenyl-16-N-(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

The InChIKey is GUWFZQKHXBQBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N2O3/c1-3-15-39(16-4-1)45-19-7-10-24-54(45)64(43-32-34-58-52(37-43)47-21-9-11-26-56(47)65-58)42-30-29-40-35-53-48-33-31-44(38-60(48)66-59-28-14-22-49(61(53)59)51(40)36-42)63(41-17-5-2-6-18-41)55-25-13-23-50-46-20-8-12-27-57(46)67-62(50)55/h1-38H.

What are the key properties of 16-N-dibenzofuran-2-yl-5-N-dibenzofuran-4-yl-5-N-phenyl-16-N-(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

16-N-dibenzofuran-2-yl-5-N-dibenzofuran-4-yl-5-N-phenyl-16-N-(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine has a molecular weight of 859.00 g/mol, XLogP of 18.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 16-N-dibenzofuran-2-yl-5-N-dibenzofuran-4-yl-5-N-phenyl-16-N-(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine is sourced from PubChem (CID 121295885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).