(5-carbazol-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-yl)-diphenyl-(3-phenylphenyl)silane

C64H50N2Si — CID 164983032

About (5-carbazol-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-yl)-diphenyl-(3-phenylphenyl)silane

(5-carbazol-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-yl)-diphenyl-(3-phenylphenyl)silane (PubChem CID 164983032) has the molecular formula C64H50N2Si and a molecular weight of 875.20 g/mol. Its IUPAC name is (5-carbazol-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-yl)-diphenyl-(3-phenylphenyl)silane.

Molecular Properties

• Compound Name: (5-carbazol-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-yl)-diphenyl-(3-phenylphenyl)silane
• PubChem CID: 164983032
• Molecular Formula: C64H50N2Si
• Molecular Weight: 875.20 g/mol
• Exact Mass: 874.37
• IUPAC Name: (5-carbazol-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-yl)-diphenyl-(3-phenylphenyl)silane
• SMILES: c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)-n3c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cccc(c53)C43C4CC5CC(C4)CC3C5)c2)cc1
• InChI: InChI=1S/C64H50N2Si/c1-4-16-44(17-5-1)45-18-14-23-51(39-45)67(49-19-6-2-7-20-49,50-21-8-3-9-22-50)52-31-32-57-62(41-52)66-61-33-30-48(65-59-28-12-10-24-53(59)54-25-11-13-29-60(54)65)40-56(61)55-26-15-27-58(63(55)66)64(57)46-35-42-34-43(37-46)38-47(64)36-42/h1-33,39-43,46-47H,34-38H2
• InChIKey: GBBKDCNZBZBLDQ-UHFFFAOYSA-N
• XLogP: 12.98
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	875.20
LogP ≤ 5	12.98
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 (5-carbazol-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-yl)-diphenyl-(3-phenylphenyl)silane?

The IUPAC name of (5-carbazol-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-yl)-diphenyl-(3-phenylphenyl)silane (CID 164983032) is (5-carbazol-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-yl)-diphenyl-(3-phenylphenyl)silane.

What is the SMILES notation for (5-carbazol-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-yl)-diphenyl-(3-phenylphenyl)silane?

The canonical SMILES for (5-carbazol-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-yl)-diphenyl-(3-phenylphenyl)silane is c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)-n3c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cccc(c53)C43C4CC5CC(C4)CC3C5)c2)cc1.

What is the InChIKey of (5-carbazol-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-yl)-diphenyl-(3-phenylphenyl)silane?

The InChIKey is GBBKDCNZBZBLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H50N2Si/c1-4-16-44(17-5-1)45-18-14-23-51(39-45)67(49-19-6-2-7-20-49,50-21-8-3-9-22-50)52-31-32-57-62(41-52)66-61-33-30-48(65-59-28-12-10-24-53(59)54-25-11-13-29-60(54)65)40-56(61)55-26-15-27-58(63(55)66)64(57)46-35-42-34-43(37-46)38-47(64)36-42/h1-33,39-43,46-47H,34-38H2.

What are the key properties of (5-carbazol-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-yl)-diphenyl-(3-phenylphenyl)silane?

(5-carbazol-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-yl)-diphenyl-(3-phenylphenyl)silane has a molecular weight of 875.20 g/mol, XLogP of 12.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (5-carbazol-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-yl)-diphenyl-(3-phenylphenyl)silane is sourced from PubChem (CID 164983032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).