16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine

C64H48N2O2 — CID 122661115

About 16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine

16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine (PubChem CID 122661115) has the molecular formula C64H48N2O2 and a molecular weight of 877.10 g/mol. Its IUPAC name is 16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine.

Molecular Properties

• Compound Name: 16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
• PubChem CID: 122661115
• Molecular Formula: C64H48N2O2
• Molecular Weight: 877.10 g/mol
• Exact Mass: 876.37
• IUPAC Name: 16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
• SMILES: CC1(C)c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccc4oc5ccccc5c4c2)c2ccccc2-c2ccccc2)ccc1-3
• InChI: InChI=1S/C64H48N2O2/c1-63(2)53-39-45(65(43-24-12-7-13-25-43)55-29-17-14-26-47(55)41-20-8-5-9-21-41)32-35-50(53)61-59(63)60-62(68-61)51-36-33-46(40-54(51)64(60,3)4)66(56-30-18-15-27-48(56)42-22-10-6-11-23-42)44-34-37-58-52(38-44)49-28-16-19-31-57(49)67-58/h5-40H,1-4H3
• InChIKey: YKLVDEZVBWRYHE-UHFFFAOYSA-N
• XLogP: 18.07
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	877.10
LogP ≤ 5	18.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?

The IUPAC name of 16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine (CID 122661115) is 16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine.

What is the SMILES notation for 16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?

The canonical SMILES for 16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine is CC1(C)c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccc4oc5ccccc5c4c2)c2ccccc2-c2ccccc2)ccc1-3.

What is the InChIKey of 16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?

The InChIKey is YKLVDEZVBWRYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N2O2/c1-63(2)53-39-45(65(43-24-12-7-13-25-43)55-29-17-14-26-47(55)41-20-8-5-9-21-41)32-35-50(53)61-59(63)60-62(68-61)51-36-33-46(40-54(51)64(60,3)4)66(56-30-18-15-27-48(56)42-22-10-6-11-23-42)44-34-37-58-52(38-44)49-28-16-19-31-57(49)67-58/h5-40H,1-4H3.

What are the key properties of 16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?

16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine has a molecular weight of 877.10 g/mol, XLogP of 18.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine is sourced from PubChem (CID 122661115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).