16-N-dibenzofuran-4-yl-3,3,19,19-tetramethyl-6-N,6-N-diphenyl-16-N-(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;3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,6-N,16-N-triphenyl-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

C108H84N4O3 — CID 160779183

About 16-N-dibenzofuran-4-yl-3,3,19,19-tetramethyl-6-N,6-N-diphenyl-16-N-(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;3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,6-N,16-N-triphenyl-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-4-yl-3,3,19,19-tetramethyl-6-N,6-N-diphenyl-16-N-(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;3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,6-N,16-N-triphenyl-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 160779183) has the molecular formula C108H84N4O3 and a molecular weight of 1485.88 g/mol. Its IUPAC name is 16-N-dibenzofuran-4-yl-3,3,19,19-tetramethyl-6-N,6-N-diphenyl-16-N-(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;3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,6-N,16-N-triphenyl-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-4-yl-3,3,19,19-tetramethyl-6-N,6-N-diphenyl-16-N-(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;3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,6-N,16-N-triphenyl-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: 160779183
• Molecular Formula: C108H84N4O3
• Molecular Weight: 1485.88 g/mol
• Exact Mass: 1484.65
• IUPAC Name: 16-N-dibenzofuran-4-yl-3,3,19,19-tetramethyl-6-N,6-N-diphenyl-16-N-(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;3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,6-N,16-N-triphenyl-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)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2ccc4ccccc4c2)ccc1-3.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccccc2-c2ccccc2)c2cccc4c2oc2ccccc24)ccc1-3
• InChI: InChI=1S/C58H44N2O2.C50H40N2O/c1-57(2)47-35-40(59(38-21-10-6-11-22-38)39-23-12-7-13-24-39)31-33-45(47)55-52(57)53-56(62-55)46-34-32-41(36-48(46)58(53,3)4)60(49-28-16-14-25-42(49)37-19-8-5-9-20-37)50-29-18-27-44-43-26-15-17-30-51(43)61-54(44)50;1-49(2)43-31-39(51(35-18-8-5-9-19-35)36-20-10-6-11-21-36)26-28-41(43)47-45(49)46-48(53-47)42-29-27-40(32-44(42)50(46,3)4)52(37-22-12-7-13-23-37)38-25-24-33-16-14-15-17-34(33)30-38/h5-36H,1-4H3;5-32H,1-4H3
• InChIKey: SAIQTNADTFGELP-UHFFFAOYSA-N
• XLogP: 30.38
• TPSA: 52.38 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1485.88
LogP ≤ 5	30.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 16-N-dibenzofuran-4-yl-3,3,19,19-tetramethyl-6-N,6-N-diphenyl-16-N-(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;3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,6-N,16-N-triphenyl-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-4-yl-3,3,19,19-tetramethyl-6-N,6-N-diphenyl-16-N-(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;3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,6-N,16-N-triphenyl-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 160779183) is 16-N-dibenzofuran-4-yl-3,3,19,19-tetramethyl-6-N,6-N-diphenyl-16-N-(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;3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,6-N,16-N-triphenyl-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-4-yl-3,3,19,19-tetramethyl-6-N,6-N-diphenyl-16-N-(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;3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,6-N,16-N-triphenyl-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-4-yl-3,3,19,19-tetramethyl-6-N,6-N-diphenyl-16-N-(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;3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,6-N,16-N-triphenyl-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)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2ccc4ccccc4c2)ccc1-3.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccccc2-c2ccccc2)c2cccc4c2oc2ccccc24)ccc1-3.

What is the InChIKey of 16-N-dibenzofuran-4-yl-3,3,19,19-tetramethyl-6-N,6-N-diphenyl-16-N-(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;3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,6-N,16-N-triphenyl-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 SAIQTNADTFGELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2O2.C50H40N2O/c1-57(2)47-35-40(59(38-21-10-6-11-22-38)39-23-12-7-13-24-39)31-33-45(47)55-52(57)53-56(62-55)46-34-32-41(36-48(46)58(53,3)4)60(49-28-16-14-25-42(49)37-19-8-5-9-20-37)50-29-18-27-44-43-26-15-17-30-51(43)61-54(44)50;1-49(2)43-31-39(51(35-18-8-5-9-19-35)36-20-10-6-11-21-36)26-28-41(43)47-45(49)46-48(53-47)42-29-27-40(32-44(42)50(46,3)4)52(37-22-12-7-13-23-37)38-25-24-33-16-14-15-17-34(33)30-38/h5-36H,1-4H3;5-32H,1-4H3.

What are the key properties of 16-N-dibenzofuran-4-yl-3,3,19,19-tetramethyl-6-N,6-N-diphenyl-16-N-(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;3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,6-N,16-N-triphenyl-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-4-yl-3,3,19,19-tetramethyl-6-N,6-N-diphenyl-16-N-(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;3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,6-N,16-N-triphenyl-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 1485.88 g/mol, XLogP of 30.38, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 16-N-dibenzofuran-4-yl-3,3,19,19-tetramethyl-6-N,6-N-diphenyl-16-N-(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;3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,6-N,16-N-triphenyl-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 160779183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).