[3-[4-(2-adamantyl)-3-carbazol-9-ylphenyl]phenyl]-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-ylsilane

C74H64N2Si — CID 165025759

About [3-[4-(2-adamantyl)-3-carbazol-9-ylphenyl]phenyl]-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-ylsilane

[3-[4-(2-adamantyl)-3-carbazol-9-ylphenyl]phenyl]-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-ylsilane (PubChem CID 165025759) has the molecular formula C74H64N2Si and a molecular weight of 1009.43 g/mol. Its IUPAC name is [3-[4-(2-adamantyl)-3-carbazol-9-ylphenyl]phenyl]-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-ylsilane.

Molecular Properties

• Compound Name: [3-[4-(2-adamantyl)-3-carbazol-9-ylphenyl]phenyl]-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-ylsilane
• PubChem CID: 165025759
• Molecular Formula: C74H64N2Si
• Molecular Weight: 1009.43 g/mol
• Exact Mass: 1008.48
• IUPAC Name: [3-[4-(2-adamantyl)-3-carbazol-9-ylphenyl]phenyl]-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-ylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2cccc(-c3ccc(C4C5CC6CC(C5)CC4C6)c(-n4c5ccccc5c5ccccc54)c3)c2)c2ccc3c(c2)-n2c4ccccc4c4cccc(c42)C32C3CC4CC(C3)CC2C4)cc1
• InChI: InChI=1S/C74H64N2Si/c1-3-16-56(17-4-1)77(57-18-5-2-6-19-57,59-30-32-65-71(45-59)76-69-28-12-9-23-62(69)63-24-14-25-66(73(63)76)74(65)54-39-48-34-49(41-54)42-55(74)40-48)58-20-13-15-50(43-58)51-29-31-64(72-52-35-46-33-47(37-52)38-53(72)36-46)70(44-51)75-67-26-10-7-21-60(67)61-22-8-11-27-68(61)75/h1-32,43-49,52-55,72H,33-42H2
• InChIKey: TXPFLFIZZOSACI-UHFFFAOYSA-N
• XLogP: 15.52
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1009.43
LogP ≤ 5	15.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-adamantyl)-3-carbazol-9-ylphenyl]phenyl]-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-ylsilane?

The IUPAC name of [3-[4-(2-adamantyl)-3-carbazol-9-ylphenyl]phenyl]-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-ylsilane (CID 165025759) is [3-[4-(2-adamantyl)-3-carbazol-9-ylphenyl]phenyl]-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-ylsilane.

What is the SMILES notation for [3-[4-(2-adamantyl)-3-carbazol-9-ylphenyl]phenyl]-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-ylsilane?

The canonical SMILES for [3-[4-(2-adamantyl)-3-carbazol-9-ylphenyl]phenyl]-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-ylsilane is c1ccc([Si](c2ccccc2)(c2cccc(-c3ccc(C4C5CC6CC(C5)CC4C6)c(-n4c5ccccc5c5ccccc54)c3)c2)c2ccc3c(c2)-n2c4ccccc4c4cccc(c42)C32C3CC4CC(C3)CC2C4)cc1.

What is the InChIKey of [3-[4-(2-adamantyl)-3-carbazol-9-ylphenyl]phenyl]-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-ylsilane?

The InChIKey is TXPFLFIZZOSACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H64N2Si/c1-3-16-56(17-4-1)77(57-18-5-2-6-19-57,59-30-32-65-71(45-59)76-69-28-12-9-23-62(69)63-24-14-25-66(73(63)76)74(65)54-39-48-34-49(41-54)42-55(74)40-48)58-20-13-15-50(43-58)51-29-31-64(72-52-35-46-33-47(37-52)38-53(72)36-46)70(44-51)75-67-26-10-7-21-60(67)61-22-8-11-27-68(61)75/h1-32,43-49,52-55,72H,33-42H2.

What are the key properties of [3-[4-(2-adamantyl)-3-carbazol-9-ylphenyl]phenyl]-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-ylsilane?

[3-[4-(2-adamantyl)-3-carbazol-9-ylphenyl]phenyl]-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-ylsilane has a molecular weight of 1009.43 g/mol, XLogP of 15.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-(2-adamantyl)-3-carbazol-9-ylphenyl]phenyl]-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-ylsilane is sourced from PubChem (CID 165025759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).