16-N-dibenzofuran-3-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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-dibenzothiophen-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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

C122H104N4O3SSi2 — CID 159864535

About 16-N-dibenzofuran-3-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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-dibenzothiophen-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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-3-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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-dibenzothiophen-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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 159864535) has the molecular formula C122H104N4O3SSi2 and a molecular weight of 1762.44 g/mol. Its IUPAC name is 16-N-dibenzofuran-3-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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-dibenzothiophen-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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-3-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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-dibenzothiophen-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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: 159864535
• Molecular Formula: C122H104N4O3SSi2
• Molecular Weight: 1762.44 g/mol
• Exact Mass: 1760.74
• IUPAC Name: 16-N-dibenzofuran-3-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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-dibenzothiophen-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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)c3ccc([Si](C)(C)C)cc3)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccc4c(c2)oc2ccccc24)c2ccccc2-c2ccccc2)ccc1-3.CC1(C)c2cc(N(c3ccccc3)c3ccc([Si](C)(C)C)cc3)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccc4sc5ccccc5c4c2)c2ccccc2-c2ccccc2)ccc1-3
• InChI: InChI=1S/C61H52N2O2Si.C61H52N2OSSi/c1-60(2)51-36-42(62(40-20-12-9-13-21-40)41-26-31-45(32-27-41)66(5,6)7)29-34-49(51)58-56(60)57-59(65-58)50-35-30-43(37-52(50)61(57,3)4)63(53-24-16-14-22-46(53)39-18-10-8-11-19-39)44-28-33-48-47-23-15-17-25-54(47)64-55(48)38-44;1-60(2)51-37-43(62(40-20-12-9-13-21-40)41-26-31-45(32-27-41)66(5,6)7)28-33-48(51)58-56(60)57-59(64-58)49-34-29-44(38-52(49)61(57,3)4)63(53-24-16-14-22-46(53)39-18-10-8-11-19-39)42-30-35-55-50(36-42)47-23-15-17-25-54(47)65-55/h2*8-38H,1-7H3
• InChIKey: NROIRZXKSUYMMF-UHFFFAOYSA-N
• XLogP: 34.36
• TPSA: 52.38 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1762.44
LogP ≤ 5	34.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 16-N-dibenzofuran-3-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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-dibenzothiophen-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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-3-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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-dibenzothiophen-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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 159864535) is 16-N-dibenzofuran-3-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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-dibenzothiophen-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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-3-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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-dibenzothiophen-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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-3-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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-dibenzothiophen-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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)c3ccc([Si](C)(C)C)cc3)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccc4c(c2)oc2ccccc24)c2ccccc2-c2ccccc2)ccc1-3.CC1(C)c2cc(N(c3ccccc3)c3ccc([Si](C)(C)C)cc3)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccc4sc5ccccc5c4c2)c2ccccc2-c2ccccc2)ccc1-3.

What is the InChIKey of 16-N-dibenzofuran-3-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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-dibenzothiophen-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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 NROIRZXKSUYMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H52N2O2Si.C61H52N2OSSi/c1-60(2)51-36-42(62(40-20-12-9-13-21-40)41-26-31-45(32-27-41)66(5,6)7)29-34-49(51)58-56(60)57-59(65-58)50-35-30-43(37-52(50)61(57,3)4)63(53-24-16-14-22-46(53)39-18-10-8-11-19-39)44-28-33-48-47-23-15-17-25-54(47)64-55(48)38-44;1-60(2)51-37-43(62(40-20-12-9-13-21-40)41-26-31-45(32-27-41)66(5,6)7)28-33-48(51)58-56(60)57-59(64-58)49-34-29-44(38-52(49)61(57,3)4)63(53-24-16-14-22-46(53)39-18-10-8-11-19-39)42-30-35-55-50(36-42)47-23-15-17-25-54(47)65-55/h2*8-38H,1-7H3.

What are the key properties of 16-N-dibenzofuran-3-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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-dibenzothiophen-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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-3-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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-dibenzothiophen-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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 1762.44 g/mol, XLogP of 34.36, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 16-N-dibenzofuran-3-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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-dibenzothiophen-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-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 159864535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).