[3-[4-[2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)carbazol-9-yl]-6-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]pyrimidin-2-yl]phenyl]-triphenylsilane

C64H59N5Si — CID 174105133

IUPAC[3-[4-[2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)carbazol-9-yl]-6-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]pyrimidin-2-yl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4cccc(N5C6CC7CC(C6)CC5C7)c4)cc(-n4c5ccccc5c5ccc(N6C7CC8CC(C7)CC6C8)cc54)n3)c2)cc1
InChIInChI=1S/C64H59N5Si/c1-4-17-54(18-5-1)70(55-19-6-2-7-20-55,56-21-8-3-9-22-56)57-23-13-15-47(39-57)64-65-60(46-14-12-16-48(38-46)67-50-30-42-28-43(32-50)33-51(67)31-42)41-63(66-64)69-61-25-11-10-24-58(61)59-27-26-49(40-62(59)69)68-52-34-44-29-45(36-52)37-53(68)35-44/h1-27,38-45,50-53H,28-37H2
InChIKeyAVNYBARJYLFQEI-UHFFFAOYSA-N
MW926.30 g/mol
LogP11.82
Rot. Bonds9

About [3-[4-[2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)carbazol-9-yl]-6-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]pyrimidin-2-yl]phenyl]-triphenylsilane

[3-[4-[2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)carbazol-9-yl]-6-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]pyrimidin-2-yl]phenyl]-triphenylsilane (PubChem CID 174105133) has the molecular formula C64H59N5Si and a molecular weight of 926.30 g/mol. Its IUPAC name is [3-[4-[2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)carbazol-9-yl]-6-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]pyrimidin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-[4-[2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)carbazol-9-yl]-6-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]pyrimidin-2-yl]phenyl]-triphenylsilane
PubChem CID174105133
Molecular FormulaC64H59N5Si
Molecular Weight926.30 g/mol
Exact Mass925.45
IUPAC Name[3-[4-[2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)carbazol-9-yl]-6-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]pyrimidin-2-yl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4cccc(N5C6CC7CC(C6)CC5C7)c4)cc(-n4c5ccccc5c5ccc(N6C7CC8CC(C7)CC6C8)cc54)n3)c2)cc1
InChIInChI=1S/C64H59N5Si/c1-4-17-54(18-5-1)70(55-19-6-2-7-20-55,56-21-8-3-9-22-56)57-23-13-15-47(39-57)64-65-60(46-14-12-16-48(38-46)67-50-30-42-28-43(32-50)33-51(67)31-42)41-63(66-64)69-61-25-11-10-24-58(61)59-27-26-49(40-62(59)69)68-52-34-44-29-45(36-52)37-53(68)35-44/h1-27,38-45,50-53H,28-37H2
InChIKeyAVNYBARJYLFQEI-UHFFFAOYSA-N
XLogP11.82
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.30
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-[4-[2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)carbazol-9-yl]-6-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]pyrimidin-2-yl]phenyl]-triphenylsilane with MolForge

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Related Compounds

[3-[4-[2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)carbazol-9-yl]-6-phenylpyrimidin-2-yl]phenyl]-triphenylsilane
CID 174105132
[3-[4-[2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)carbazol-9-yl]-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-triphenylsilane
CID 174105135
2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 170152630
[3-[6-carbazol-9-yl-2-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrimidin-4-yl]phenyl]-triphenylsilane
CID 158779679
3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 170152600
9-[2-[2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole
CID 170152619
9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-3-phenylcarbazole
CID 170152580
[9-[6-[3,6-bis(triphenylsilyl)carbazol-9-yl]-2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]-6-triphenylsilylcarbazol-3-yl]-triphenylsilane
CID 174090415
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836396
[3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane
CID 169031756
[3-[4-[3-(10-azatricyclo[4.3.1.03,8]decan-10-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 174105365
[3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane
CID 169031868

Frequently Asked Questions

What is the IUPAC name of [3-[4-[2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)carbazol-9-yl]-6-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]pyrimidin-2-yl]phenyl]-triphenylsilane?
The IUPAC name of [3-[4-[2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)carbazol-9-yl]-6-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]pyrimidin-2-yl]phenyl]-triphenylsilane (CID 174105133) is [3-[4-[2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)carbazol-9-yl]-6-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]pyrimidin-2-yl]phenyl]-triphenylsilane.
What is the SMILES notation for [3-[4-[2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)carbazol-9-yl]-6-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]pyrimidin-2-yl]phenyl]-triphenylsilane?
The canonical SMILES for [3-[4-[2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)carbazol-9-yl]-6-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]pyrimidin-2-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4cccc(N5C6CC7CC(C6)CC5C7)c4)cc(-n4c5ccccc5c5ccc(N6C7CC8CC(C7)CC6C8)cc54)n3)c2)cc1.
What is the InChIKey of [3-[4-[2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)carbazol-9-yl]-6-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]pyrimidin-2-yl]phenyl]-triphenylsilane?
The InChIKey is AVNYBARJYLFQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H59N5Si/c1-4-17-54(18-5-1)70(55-19-6-2-7-20-55,56-21-8-3-9-22-56)57-23-13-15-47(39-57)64-65-60(46-14-12-16-48(38-46)67-50-30-42-28-43(32-50)33-51(67)31-42)41-63(66-64)69-61-25-11-10-24-58(61)59-27-26-49(40-62(59)69)68-52-34-44-29-45(36-52)37-53(68)35-44/h1-27,38-45,50-53H,28-37H2.
What are the key properties of [3-[4-[2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)carbazol-9-yl]-6-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]pyrimidin-2-yl]phenyl]-triphenylsilane?
[3-[4-[2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)carbazol-9-yl]-6-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]pyrimidin-2-yl]phenyl]-triphenylsilane has a molecular weight of 926.30 g/mol, XLogP of 11.82, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)carbazol-9-yl]-6-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]pyrimidin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 174105133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).