16-N-dibenzothiophen-2-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-6-N,6-N,16-N-triphenyl-16-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

C107H90N4O2SSi — CID 159855208

About 16-N-dibenzothiophen-2-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-6-N,6-N,16-N-triphenyl-16-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,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-6-N,6-N,16-N-triphenyl-16-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 159855208) has the molecular formula C107H90N4O2SSi and a molecular weight of 1524.08 g/mol. Its IUPAC name is 16-N-dibenzothiophen-2-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-6-N,6-N,16-N-triphenyl-16-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-dibenzothiophen-2-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-6-N,6-N,16-N-triphenyl-16-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: 159855208
• Molecular Formula: C107H90N4O2SSi
• Molecular Weight: 1524.08 g/mol
• Exact Mass: 1522.66
• IUPAC Name: 16-N-dibenzothiophen-2-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-6-N,6-N,16-N-triphenyl-16-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)c3ccccc3)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccc4sc5ccccc5c4c2)c2ccccc2-c2ccccc2)ccc1-3.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2ccc([Si](C)(C)C)cc2)ccc1-3
• InChI: InChI=1S/C58H44N2OS.C49H46N2OSi/c1-57(2)48-35-41(59(38-20-10-6-11-21-38)39-22-12-7-13-23-39)28-31-45(48)55-53(57)54-56(61-55)46-32-29-42(36-49(46)58(54,3)4)60(50-26-16-14-24-43(50)37-18-8-5-9-19-37)40-30-33-52-47(34-40)44-25-15-17-27-51(44)62-52;1-48(2)42-31-37(50(33-17-11-8-12-18-33)34-19-13-9-14-20-34)25-29-40(42)46-44(48)45-47(52-46)41-30-26-38(32-43(41)49(45,3)4)51(35-21-15-10-16-22-35)36-23-27-39(28-24-36)53(5,6)7/h5-36H,1-4H3;8-32H,1-7H3
• InChIKey: NQLAYCQQCMUPTA-UHFFFAOYSA-N
• XLogP: 30.24
• TPSA: 39.24 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1524.08
LogP ≤ 5	30.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 16-N-dibenzothiophen-2-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-6-N,6-N,16-N-triphenyl-16-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-dibenzothiophen-2-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-6-N,6-N,16-N-triphenyl-16-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 159855208) is 16-N-dibenzothiophen-2-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-6-N,6-N,16-N-triphenyl-16-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-dibenzothiophen-2-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-6-N,6-N,16-N-triphenyl-16-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-dibenzothiophen-2-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-6-N,6-N,16-N-triphenyl-16-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)c3ccccc3)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccc4sc5ccccc5c4c2)c2ccccc2-c2ccccc2)ccc1-3.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2ccc([Si](C)(C)C)cc2)ccc1-3.

What is the InChIKey of 16-N-dibenzothiophen-2-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-6-N,6-N,16-N-triphenyl-16-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 NQLAYCQQCMUPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2OS.C49H46N2OSi/c1-57(2)48-35-41(59(38-20-10-6-11-21-38)39-22-12-7-13-23-39)28-31-45(48)55-53(57)54-56(61-55)46-32-29-42(36-49(46)58(54,3)4)60(50-26-16-14-24-43(50)37-18-8-5-9-19-37)40-30-33-52-47(34-40)44-25-15-17-27-51(44)62-52;1-48(2)42-31-37(50(33-17-11-8-12-18-33)34-19-13-9-14-20-34)25-29-40(42)46-44(48)45-47(52-46)41-30-26-38(32-43(41)49(45,3)4)51(35-21-15-10-16-22-35)36-23-27-39(28-24-36)53(5,6)7/h5-36H,1-4H3;8-32H,1-7H3.

What are the key properties of 16-N-dibenzothiophen-2-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-6-N,6-N,16-N-triphenyl-16-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,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-6-N,6-N,16-N-triphenyl-16-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 1524.08 g/mol, XLogP of 30.24, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 16-N-dibenzothiophen-2-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-6-N,6-N,16-N-triphenyl-16-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 159855208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).