23-[[4-(23,23-diphenyl-9-azaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaen-9-yl)phenyl]methyl]-23-methyl-9-phenyl-9-aza-23-silaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaene

C83H56N2Si — CID 144531068

About 23-[[4-(23,23-diphenyl-9-azaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaen-9-yl)phenyl]methyl]-23-methyl-9-phenyl-9-aza-23-silaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaene

23-[[4-(23,23-diphenyl-9-azaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaen-9-yl)phenyl]methyl]-23-methyl-9-phenyl-9-aza-23-silaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaene (PubChem CID 144531068) has the molecular formula C83H56N2Si and a molecular weight of 1109.46 g/mol. Its IUPAC name is 23-[[4-(23,23-diphenyl-9-azaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaen-9-yl)phenyl]methyl]-23-methyl-9-phenyl-9-aza-23-silaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaene.

Molecular Properties

• Compound Name: 23-[[4-(23,23-diphenyl-9-azaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaen-9-yl)phenyl]methyl]-23-methyl-9-phenyl-9-aza-23-silaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaene
• PubChem CID: 144531068
• Molecular Formula: C83H56N2Si
• Molecular Weight: 1109.46 g/mol
• Exact Mass: 1108.42
• IUPAC Name: 23-[[4-(23,23-diphenyl-9-azaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaen-9-yl)phenyl]methyl]-23-methyl-9-phenyl-9-aza-23-silaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaene
• SMILES: C[Si]1(Cc2ccc(-n3c4ccccc4c4c5c6c(cc43)C=CC3C4=C(C=C(C=C5)C63)C(c3ccccc3)(c3ccccc3)c3ccccc34)cc2)C2=C(c3ccccc31)C1C=Cc3cc4c(c5c3C1C(=C2)C=C5)c1ccccc1n4-c1ccccc1
• InChI: InChI=1S/C83H56N2Si/c1-86(73-32-18-14-28-62(73)82-66-44-37-53-46-71-80(65-43-38-54(48-74(82)86)78(66)77(53)65)60-26-12-16-30-69(60)84(71)57-23-9-4-10-24-57)49-50-33-39-58(40-34-50)85-70-31-17-13-27-61(70)81-64-42-35-51-45-68-79(63-41-36-52(47-72(81)85)76(64)75(51)63)59-25-11-15-29-67(59)83(68,55-19-5-2-6-20-55)56-21-7-3-8-22-56/h2-48,63,66,75,78H,49H2,1H3
• InChIKey: NUUJAUMATGYETR-UHFFFAOYSA-N
• XLogP: 19.14
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1109.46
LogP ≤ 5	19.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 23-[[4-(23,23-diphenyl-9-azaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaen-9-yl)phenyl]methyl]-23-methyl-9-phenyl-9-aza-23-silaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaene?

The IUPAC name of 23-[[4-(23,23-diphenyl-9-azaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaen-9-yl)phenyl]methyl]-23-methyl-9-phenyl-9-aza-23-silaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaene (CID 144531068) is 23-[[4-(23,23-diphenyl-9-azaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaen-9-yl)phenyl]methyl]-23-methyl-9-phenyl-9-aza-23-silaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaene.

What is the SMILES notation for 23-[[4-(23,23-diphenyl-9-azaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaen-9-yl)phenyl]methyl]-23-methyl-9-phenyl-9-aza-23-silaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaene?

The canonical SMILES for 23-[[4-(23,23-diphenyl-9-azaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaen-9-yl)phenyl]methyl]-23-methyl-9-phenyl-9-aza-23-silaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaene is C[Si]1(Cc2ccc(-n3c4ccccc4c4c5c6c(cc43)C=CC3C4=C(C=C(C=C5)C63)C(c3ccccc3)(c3ccccc3)c3ccccc34)cc2)C2=C(c3ccccc31)C1C=Cc3cc4c(c5c3C1C(=C2)C=C5)c1ccccc1n4-c1ccccc1.

What is the InChIKey of 23-[[4-(23,23-diphenyl-9-azaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaen-9-yl)phenyl]methyl]-23-methyl-9-phenyl-9-aza-23-silaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaene?

The InChIKey is NUUJAUMATGYETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H56N2Si/c1-86(73-32-18-14-28-62(73)82-66-44-37-53-46-71-80(65-43-38-54(48-74(82)86)78(66)77(53)65)60-26-12-16-30-69(60)84(71)57-23-9-4-10-24-57)49-50-33-39-58(40-34-50)85-70-31-17-13-27-61(70)81-64-42-35-51-45-68-79(63-41-36-52(47-72(81)85)76(64)75(51)63)59-25-11-15-29-67(59)83(68,55-19-5-2-6-20-55)56-21-7-3-8-22-56/h2-48,63,66,75,78H,49H2,1H3.

What are the key properties of 23-[[4-(23,23-diphenyl-9-azaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaen-9-yl)phenyl]methyl]-23-methyl-9-phenyl-9-aza-23-silaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaene?

23-[[4-(23,23-diphenyl-9-azaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaen-9-yl)phenyl]methyl]-23-methyl-9-phenyl-9-aza-23-silaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaene has a molecular weight of 1109.46 g/mol, XLogP of 19.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 23-[[4-(23,23-diphenyl-9-azaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaen-9-yl)phenyl]methyl]-23-methyl-9-phenyl-9-aza-23-silaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaene is sourced from PubChem (CID 144531068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).