17-[fluoro-(3-pyridin-2-ylphenyl)methyl]-10,21,21-triphenyl-14-pyridin-2-yl-10,14-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene

C53H37FN4Si — CID 140953650

IUPAC17-[fluoro-(3-pyridin-2-ylphenyl)methyl]-10,21,21-triphenyl-14-pyridin-2-yl-10,14-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
SMILESFC(c1cccc(-c2ccccn2)c1)c1ccc2c(c1)N(c1ccccn1)c1cc3c(cc1[Si]2(c1ccccc1)c1ccccc1)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C53H37FN4Si/c54-53(38-18-16-17-37(33-38)45-26-12-14-31-55-45)39-29-30-50-48(34-39)58(52-28-13-15-32-56-52)49-36-47-44(43-25-10-11-27-46(43)57(47)40-19-4-1-5-20-40)35-51(49)59(50,41-21-6-2-7-22-41)42-23-8-3-9-24-42/h1-36,53H
InChIKeyZQZGSYMQOJTDQV-UHFFFAOYSA-N
MW776.99 g/mol
LogP10.46
Rot. Bonds7

About 17-[fluoro-(3-pyridin-2-ylphenyl)methyl]-10,21,21-triphenyl-14-pyridin-2-yl-10,14-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene

17-[fluoro-(3-pyridin-2-ylphenyl)methyl]-10,21,21-triphenyl-14-pyridin-2-yl-10,14-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene (PubChem CID 140953650) has the molecular formula C53H37FN4Si and a molecular weight of 776.99 g/mol. Its IUPAC name is 17-[fluoro-(3-pyridin-2-ylphenyl)methyl]-10,21,21-triphenyl-14-pyridin-2-yl-10,14-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name17-[fluoro-(3-pyridin-2-ylphenyl)methyl]-10,21,21-triphenyl-14-pyridin-2-yl-10,14-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
PubChem CID140953650
Molecular FormulaC53H37FN4Si
Molecular Weight776.99 g/mol
Exact Mass776.28
IUPAC Name17-[fluoro-(3-pyridin-2-ylphenyl)methyl]-10,21,21-triphenyl-14-pyridin-2-yl-10,14-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
SMILESFC(c1cccc(-c2ccccn2)c1)c1ccc2c(c1)N(c1ccccn1)c1cc3c(cc1[Si]2(c1ccccc1)c1ccccc1)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C53H37FN4Si/c54-53(38-18-16-17-37(33-38)45-26-12-14-31-55-45)39-29-30-50-48(34-39)58(52-28-13-15-32-56-52)49-36-47-44(43-25-10-11-27-46(43)57(47)40-19-4-1-5-20-40)35-51(49)59(50,41-21-6-2-7-22-41)42-23-8-3-9-24-42/h1-36,53H
InChIKeyZQZGSYMQOJTDQV-UHFFFAOYSA-N
XLogP10.46
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.99
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 17-[fluoro-(3-pyridin-2-ylphenyl)methyl]-10,21,21-triphenyl-14-pyridin-2-yl-10,14-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene with MolForge

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Related Compounds

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CID 9957761
11-Butyl-2-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 10071365
2-Methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-11-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 10253255
2-Methyl-6-(2-methylprop-1-enyl)-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 10387882
3-[2-[4-(4-Methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 11726062
CID 17961227
CID 17961227
8-Fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
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7-Fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
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1-(4-Fluorophenyl)-2-methyl-8-quinolin-3-ylimidazo[4,5-c]quinoline
CID 168284098
2,6-Dimethyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 10318114

Frequently Asked Questions

What is the IUPAC name of 17-[fluoro-(3-pyridin-2-ylphenyl)methyl]-10,21,21-triphenyl-14-pyridin-2-yl-10,14-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene?
The IUPAC name of 17-[fluoro-(3-pyridin-2-ylphenyl)methyl]-10,21,21-triphenyl-14-pyridin-2-yl-10,14-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene (CID 140953650) is 17-[fluoro-(3-pyridin-2-ylphenyl)methyl]-10,21,21-triphenyl-14-pyridin-2-yl-10,14-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene.
What is the SMILES notation for 17-[fluoro-(3-pyridin-2-ylphenyl)methyl]-10,21,21-triphenyl-14-pyridin-2-yl-10,14-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene?
The canonical SMILES for 17-[fluoro-(3-pyridin-2-ylphenyl)methyl]-10,21,21-triphenyl-14-pyridin-2-yl-10,14-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene is FC(c1cccc(-c2ccccn2)c1)c1ccc2c(c1)N(c1ccccn1)c1cc3c(cc1[Si]2(c1ccccc1)c1ccccc1)c1ccccc1n3-c1ccccc1.
What is the InChIKey of 17-[fluoro-(3-pyridin-2-ylphenyl)methyl]-10,21,21-triphenyl-14-pyridin-2-yl-10,14-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene?
The InChIKey is ZQZGSYMQOJTDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37FN4Si/c54-53(38-18-16-17-37(33-38)45-26-12-14-31-55-45)39-29-30-50-48(34-39)58(52-28-13-15-32-56-52)49-36-47-44(43-25-10-11-27-46(43)57(47)40-19-4-1-5-20-40)35-51(49)59(50,41-21-6-2-7-22-41)42-23-8-3-9-24-42/h1-36,53H.
What are the key properties of 17-[fluoro-(3-pyridin-2-ylphenyl)methyl]-10,21,21-triphenyl-14-pyridin-2-yl-10,14-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene?
17-[fluoro-(3-pyridin-2-ylphenyl)methyl]-10,21,21-triphenyl-14-pyridin-2-yl-10,14-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene has a molecular weight of 776.99 g/mol, XLogP of 10.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[fluoro-(3-pyridin-2-ylphenyl)methyl]-10,21,21-triphenyl-14-pyridin-2-yl-10,14-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene is sourced from PubChem (CID 140953650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).