3,3,19,19-tetramethyl-6-N,6-N,16-N-triphenyl-16-N-(2-phenylphenyl)-11-thiapentacyclo[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-thiapentacyclo[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

C101H88N4S2Si — CID 159886579

About 3,3,19,19-tetramethyl-6-N,6-N,16-N-triphenyl-16-N-(2-phenylphenyl)-11-thiapentacyclo[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-thiapentacyclo[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-(2-phenylphenyl)-11-thiapentacyclo[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-thiapentacyclo[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 159886579) has the molecular formula C101H88N4S2Si and a molecular weight of 1450.06 g/mol. Its IUPAC name is 3,3,19,19-tetramethyl-6-N,6-N,16-N-triphenyl-16-N-(2-phenylphenyl)-11-thiapentacyclo[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-thiapentacyclo[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: 3,3,19,19-tetramethyl-6-N,6-N,16-N-triphenyl-16-N-(2-phenylphenyl)-11-thiapentacyclo[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-thiapentacyclo[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: 159886579
• Molecular Formula: C101H88N4S2Si
• Molecular Weight: 1450.06 g/mol
• Exact Mass: 1448.62
• IUPAC Name: 3,3,19,19-tetramethyl-6-N,6-N,16-N-triphenyl-16-N-(2-phenylphenyl)-11-thiapentacyclo[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-thiapentacyclo[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-c2sc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2ccc([Si](C)(C)C)cc2)ccc1-3.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2sc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2ccccc2-c2ccccc2)ccc1-3
• InChI: InChI=1S/C52H42N2S.C49H46N2SSi/c1-51(2)44-33-39(53(36-21-11-6-12-22-36)37-23-13-7-14-24-37)29-31-42(44)49-47(51)48-50(55-49)43-32-30-40(34-45(43)52(48,3)4)54(38-25-15-8-16-26-38)46-28-18-17-27-41(46)35-19-9-5-10-20-35;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/h5-34H,1-4H3;8-32H,1-7H3
• InChIKey: NUFDQEMGDSXRFF-UHFFFAOYSA-N
• XLogP: 28.81
• TPSA: 12.96 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1450.06
LogP ≤ 5	28.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,3,19,19-tetramethyl-6-N,6-N,16-N-triphenyl-16-N-(2-phenylphenyl)-11-thiapentacyclo[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-thiapentacyclo[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 3,3,19,19-tetramethyl-6-N,6-N,16-N-triphenyl-16-N-(2-phenylphenyl)-11-thiapentacyclo[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-thiapentacyclo[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 159886579) is 3,3,19,19-tetramethyl-6-N,6-N,16-N-triphenyl-16-N-(2-phenylphenyl)-11-thiapentacyclo[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-thiapentacyclo[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 3,3,19,19-tetramethyl-6-N,6-N,16-N-triphenyl-16-N-(2-phenylphenyl)-11-thiapentacyclo[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-thiapentacyclo[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 3,3,19,19-tetramethyl-6-N,6-N,16-N-triphenyl-16-N-(2-phenylphenyl)-11-thiapentacyclo[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-thiapentacyclo[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-c2sc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2ccc([Si](C)(C)C)cc2)ccc1-3.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2sc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2ccccc2-c2ccccc2)ccc1-3.

What is the InChIKey of 3,3,19,19-tetramethyl-6-N,6-N,16-N-triphenyl-16-N-(2-phenylphenyl)-11-thiapentacyclo[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-thiapentacyclo[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 NUFDQEMGDSXRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42N2S.C49H46N2SSi/c1-51(2)44-33-39(53(36-21-11-6-12-22-36)37-23-13-7-14-24-37)29-31-42(44)49-47(51)48-50(55-49)43-32-30-40(34-45(43)52(48,3)4)54(38-25-15-8-16-26-38)46-28-18-17-27-41(46)35-19-9-5-10-20-35;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/h5-34H,1-4H3;8-32H,1-7H3.

What are the key properties of 3,3,19,19-tetramethyl-6-N,6-N,16-N-triphenyl-16-N-(2-phenylphenyl)-11-thiapentacyclo[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-thiapentacyclo[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-(2-phenylphenyl)-11-thiapentacyclo[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-thiapentacyclo[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 1450.06 g/mol, XLogP of 28.81, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,19,19-tetramethyl-6-N,6-N,16-N-triphenyl-16-N-(2-phenylphenyl)-11-thiapentacyclo[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-thiapentacyclo[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 159886579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).