5-N-dibenzofuran-4-yl-16-N-(9,9-dimethylfluoren-2-yl)-16-N-phenyl-5-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

C65H44N2O2 — CID 121295896

About 5-N-dibenzofuran-4-yl-16-N-(9,9-dimethylfluoren-2-yl)-16-N-phenyl-5-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

5-N-dibenzofuran-4-yl-16-N-(9,9-dimethylfluoren-2-yl)-16-N-phenyl-5-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 121295896) has the molecular formula C65H44N2O2 and a molecular weight of 885.08 g/mol. Its IUPAC name is 5-N-dibenzofuran-4-yl-16-N-(9,9-dimethylfluoren-2-yl)-16-N-phenyl-5-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: 5-N-dibenzofuran-4-yl-16-N-(9,9-dimethylfluoren-2-yl)-16-N-phenyl-5-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: 121295896
• Molecular Formula: C65H44N2O2
• Molecular Weight: 885.08 g/mol
• Exact Mass: 884.34
• IUPAC Name: 5-N-dibenzofuran-4-yl-16-N-(9,9-dimethylfluoren-2-yl)-16-N-phenyl-5-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: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4cc5c6c(cccc6c4c3)Oc3cc(N(c4ccccc4-c4ccccc4)c4cccc6c4oc4ccccc46)ccc3-5)cc21
• InChI: InChI=1S/C65H44N2O2/c1-65(2)56-26-12-9-22-48(56)49-35-33-45(39-57(49)65)66(43-19-7-4-8-20-43)44-32-31-42-37-55-51-36-34-46(40-62(51)68-61-30-16-24-52(63(55)61)54(42)38-44)67(58-27-13-10-21-47(58)41-17-5-3-6-18-41)59-28-15-25-53-50-23-11-14-29-60(50)69-64(53)59/h3-40H,1-2H3
• InChIKey: FKUMKYRBVPLXSP-UHFFFAOYSA-N
• XLogP: 18.58
• TPSA: 28.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	885.08
LogP ≤ 5	18.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-N-dibenzofuran-4-yl-16-N-(9,9-dimethylfluoren-2-yl)-16-N-phenyl-5-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 5-N-dibenzofuran-4-yl-16-N-(9,9-dimethylfluoren-2-yl)-16-N-phenyl-5-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 121295896) is 5-N-dibenzofuran-4-yl-16-N-(9,9-dimethylfluoren-2-yl)-16-N-phenyl-5-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 5-N-dibenzofuran-4-yl-16-N-(9,9-dimethylfluoren-2-yl)-16-N-phenyl-5-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 5-N-dibenzofuran-4-yl-16-N-(9,9-dimethylfluoren-2-yl)-16-N-phenyl-5-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 CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4cc5c6c(cccc6c4c3)Oc3cc(N(c4ccccc4-c4ccccc4)c4cccc6c4oc4ccccc46)ccc3-5)cc21.

What is the InChIKey of 5-N-dibenzofuran-4-yl-16-N-(9,9-dimethylfluoren-2-yl)-16-N-phenyl-5-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 FKUMKYRBVPLXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N2O2/c1-65(2)56-26-12-9-22-48(56)49-35-33-45(39-57(49)65)66(43-19-7-4-8-20-43)44-32-31-42-37-55-51-36-34-46(40-62(51)68-61-30-16-24-52(63(55)61)54(42)38-44)67(58-27-13-10-21-47(58)41-17-5-3-6-18-41)59-28-15-25-53-50-23-11-14-29-60(50)69-64(53)59/h3-40H,1-2H3.

What are the key properties of 5-N-dibenzofuran-4-yl-16-N-(9,9-dimethylfluoren-2-yl)-16-N-phenyl-5-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?

5-N-dibenzofuran-4-yl-16-N-(9,9-dimethylfluoren-2-yl)-16-N-phenyl-5-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 885.08 g/mol, XLogP of 18.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-dibenzofuran-4-yl-16-N-(9,9-dimethylfluoren-2-yl)-16-N-phenyl-5-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 121295896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).