21,21-dimethyl-18,24-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene

C167H114N4Si3 — CID 159780717

About 21,21-dimethyl-18,24-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene

21,21-dimethyl-18,24-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene (PubChem CID 159780717) has the molecular formula C167H114N4Si3 and a molecular weight of 2261.03 g/mol. Its IUPAC name is 21,21-dimethyl-18,24-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene.

Molecular Properties

• Compound Name: 21,21-dimethyl-18,24-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene
• PubChem CID: 159780717
• Molecular Formula: C167H114N4Si3
• Molecular Weight: 2261.03 g/mol
• Exact Mass: 2258.84
• IUPAC Name: 21,21-dimethyl-18,24-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene
• SMILES: C[Si]1(C)c2cc(-c3ccccc3)ccc2N2c3ccccc3-c3ccccc3-c3cc(-c4ccccc4)cc1c32.c1ccc(C2(c3ccccc3)c3cc(-c4ccc5c(c4)[Si](c4ccccc4)(c4ccccc4)c4cccc6c4N5c4ccccc4-c4ccccc4-6)ccc3N3c4ccccc4-c4ccccc4-c4cccc2c43)cc1.c1ccc([Si]2(c3ccccc3)c3cc(-c4cccc5ccccc45)ccc3N3c4ccccc4-c4ccccc4-c4cc(-c5cccc6ccccc56)cc2c43)cc1
• InChI: InChI=1S/C73H48N2Si.C56H37NSi.C38H29NSi/c1-5-23-51(24-6-1)73(52-25-7-2-8-26-52)63-39-21-37-61-57-33-15-13-31-55(57)59-35-17-19-40-65(59)74(71(61)63)67-45-43-49(47-64(67)73)50-44-46-68-70(48-50)76(53-27-9-3-10-28-53,54-29-11-4-12-30-54)69-42-22-38-62-58-34-16-14-32-56(58)60-36-18-20-41-66(60)75(68)72(62)69;1-3-21-42(22-4-1)58(43-23-5-2-6-24-43)54-36-40(46-30-15-19-38-17-7-9-25-44(38)46)33-34-53(54)57-52-32-14-13-29-50(52)48-27-11-12-28-49(48)51-35-41(37-55(58)56(51)57)47-31-16-20-39-18-8-10-26-45(39)47;1-40(2)36-24-28(26-13-5-3-6-14-26)21-22-35(36)39-34-20-12-11-19-32(34)30-17-9-10-18-31(30)33-23-29(25-37(40)38(33)39)27-15-7-4-8-16-27/h1-48H;1-37H;3-25H,1-2H3
• InChIKey: NHIBWXJFWUTKGN-UHFFFAOYSA-N
• XLogP: 37.38
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2261.03
LogP ≤ 5	37.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 21,21-dimethyl-18,24-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene?

The IUPAC name of 21,21-dimethyl-18,24-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene (CID 159780717) is 21,21-dimethyl-18,24-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene.

What is the SMILES notation for 21,21-dimethyl-18,24-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene?

The canonical SMILES for 21,21-dimethyl-18,24-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene is C[Si]1(C)c2cc(-c3ccccc3)ccc2N2c3ccccc3-c3ccccc3-c3cc(-c4ccccc4)cc1c32.c1ccc(C2(c3ccccc3)c3cc(-c4ccc5c(c4)[Si](c4ccccc4)(c4ccccc4)c4cccc6c4N5c4ccccc4-c4ccccc4-6)ccc3N3c4ccccc4-c4ccccc4-c4cccc2c43)cc1.c1ccc([Si]2(c3ccccc3)c3cc(-c4cccc5ccccc45)ccc3N3c4ccccc4-c4ccccc4-c4cc(-c5cccc6ccccc56)cc2c43)cc1.

What is the InChIKey of 21,21-dimethyl-18,24-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene?

The InChIKey is NHIBWXJFWUTKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H48N2Si.C56H37NSi.C38H29NSi/c1-5-23-51(24-6-1)73(52-25-7-2-8-26-52)63-39-21-37-61-57-33-15-13-31-55(57)59-35-17-19-40-65(59)74(71(61)63)67-45-43-49(47-64(67)73)50-44-46-68-70(48-50)76(53-27-9-3-10-28-53,54-29-11-4-12-30-54)69-42-22-38-62-58-34-16-14-32-56(58)60-36-18-20-41-66(60)75(68)72(62)69;1-3-21-42(22-4-1)58(43-23-5-2-6-24-43)54-36-40(46-30-15-19-38-17-7-9-25-44(38)46)33-34-53(54)57-52-32-14-13-29-50(52)48-27-11-12-28-49(48)51-35-41(37-55(58)56(51)57)47-31-16-20-39-18-8-10-26-45(39)47;1-40(2)36-24-28(26-13-5-3-6-14-26)21-22-35(36)39-34-20-12-11-19-32(34)30-17-9-10-18-31(30)33-23-29(25-37(40)38(33)39)27-15-7-4-8-16-27/h1-48H;1-37H;3-25H,1-2H3.

What are the key properties of 21,21-dimethyl-18,24-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene?

21,21-dimethyl-18,24-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene has a molecular weight of 2261.03 g/mol, XLogP of 37.38, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 21,21-dimethyl-18,24-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene is sourced from PubChem (CID 159780717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).