9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine

C190H138N4S4Si4 — CID 167684211

About 9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine

9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine (PubChem CID 167684211) has the molecular formula C190H138N4S4Si4 and a molecular weight of 2717.83 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine
• PubChem CID: 167684211
• Molecular Formula: C190H138N4S4Si4
• Molecular Weight: 2717.83 g/mol
• Exact Mass: 2714.89
• IUPAC Name: 9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine
• SMILES: C[Si]1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc2-c2c1ccc1c2sc2ccccc21.C[Si]1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2-c2c1ccc1c2sc2ccccc21.C[Si]1(C)c2ccc3c(sc4ccccc43)c2-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4ccccc34)c21.C[Si]1(C)c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)c2-c2c1ccc1c2sc2ccccc21
• InChI: InChI=1S/3C48H35NSSi.C46H33NSSi/c1-51(2)44-18-10-16-42(46(44)47-45(51)30-29-41-40-15-8-9-17-43(40)50-48(41)47)49(38-25-21-34(22-26-38)32-11-4-3-5-12-32)39-27-23-35(24-28-39)37-20-19-33-13-6-7-14-36(33)31-37;1-51(2)45-28-26-40(31-43(45)47-46(51)29-27-42-41-14-8-9-15-44(41)50-48(42)47)49(38-22-18-34(19-23-38)32-10-4-3-5-11-32)39-24-20-35(21-25-39)37-17-16-33-12-6-7-13-36(33)30-37;1-51(2)45-29-28-42-41-14-8-9-15-44(41)50-48(42)47(45)43-27-26-40(31-46(43)51)49(38-22-18-34(19-23-38)32-10-4-3-5-11-32)39-24-20-35(21-25-39)37-17-16-33-12-6-7-13-36(33)30-37;1-49(2)43-28-27-38-37-16-7-8-20-42(37)48-45(38)44(43)39-17-10-19-41(46(39)49)47(40-18-9-14-32-12-5-6-15-36(32)40)35-25-23-31(24-26-35)34-22-21-30-11-3-4-13-33(30)29-34/h3*3-31H,1-2H3;3-29H,1-2H3
• InChIKey: VZEASVDWNJKTNE-UHFFFAOYSA-N
• XLogP: 50.74
• TPSA: 12.96 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2717.83
LogP ≤ 5	50.74
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 9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine?

The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine (CID 167684211) is 9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine.

What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine?

The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine is C[Si]1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc2-c2c1ccc1c2sc2ccccc21.C[Si]1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2-c2c1ccc1c2sc2ccccc21.C[Si]1(C)c2ccc3c(sc4ccccc43)c2-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4ccccc34)c21.C[Si]1(C)c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)c2-c2c1ccc1c2sc2ccccc21.

What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine?

The InChIKey is VZEASVDWNJKTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C48H35NSSi.C46H33NSSi/c1-51(2)44-18-10-16-42(46(44)47-45(51)30-29-41-40-15-8-9-17-43(40)50-48(41)47)49(38-25-21-34(22-26-38)32-11-4-3-5-12-32)39-27-23-35(24-28-39)37-20-19-33-13-6-7-14-36(33)31-37;1-51(2)45-28-26-40(31-43(45)47-46(51)29-27-42-41-14-8-9-15-44(41)50-48(42)47)49(38-22-18-34(19-23-38)32-10-4-3-5-11-32)39-24-20-35(21-25-39)37-17-16-33-12-6-7-13-36(33)30-37;1-51(2)45-29-28-42-41-14-8-9-15-44(41)50-48(42)47(45)43-27-26-40(31-46(43)51)49(38-22-18-34(19-23-38)32-10-4-3-5-11-32)39-24-20-35(21-25-39)37-17-16-33-12-6-7-13-36(33)30-37;1-49(2)43-28-27-38-37-16-7-8-20-42(37)48-45(38)44(43)39-17-10-19-41(46(39)49)47(40-18-9-14-32-12-5-6-15-36(32)40)35-25-23-31(24-26-35)34-22-21-30-11-3-4-13-33(30)29-34/h3*3-31H,1-2H3;3-29H,1-2H3.

What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine?

9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine has a molecular weight of 2717.83 g/mol, XLogP of 50.74, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine is sourced from PubChem (CID 167684211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).