10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,21,21-triphenyl-8,10,14-triaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene

C53H37FN4Si — CID 140953675

IUPAC10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,21,21-triphenyl-8,10,14-triaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
SMILESFC(c1cccc(-c2ccccn2)c1)c1cccc(-n2c3cc4c(cc3c3cccnc32)[Si](c2ccccc2)(c2ccccc2)c2ccccc2N4c2ccccc2)c1
InChIInChI=1S/C53H37FN4Si/c54-52(38-18-14-17-37(33-38)46-28-12-13-31-55-46)39-19-15-22-41(34-39)58-48-36-49-51(35-45(48)44-27-16-32-56-53(44)58)59(42-23-6-2-7-24-42,43-25-8-3-9-26-43)50-30-11-10-29-47(50)57(49)40-20-4-1-5-21-40/h1-36,52H
InChIKeyLAJQQNHYEZNZRK-UHFFFAOYSA-N
MW776.99 g/mol
LogP10.46
Rot. Bonds7

About 10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,21,21-triphenyl-8,10,14-triaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene

10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,21,21-triphenyl-8,10,14-triaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene (PubChem CID 140953675) has the molecular formula C53H37FN4Si and a molecular weight of 776.99 g/mol. Its IUPAC name is 10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,21,21-triphenyl-8,10,14-triaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,21,21-triphenyl-8,10,14-triaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
PubChem CID140953675
Molecular FormulaC53H37FN4Si
Molecular Weight776.99 g/mol
Exact Mass776.28
IUPAC Name10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,21,21-triphenyl-8,10,14-triaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
SMILESFC(c1cccc(-c2ccccn2)c1)c1cccc(-n2c3cc4c(cc3c3cccnc32)[Si](c2ccccc2)(c2ccccc2)c2ccccc2N4c2ccccc2)c1
InChIInChI=1S/C53H37FN4Si/c54-52(38-18-14-17-37(33-38)46-28-12-13-31-55-46)39-19-15-22-41(34-39)58-48-36-49-51(35-45(48)44-27-16-32-56-53(44)58)59(42-23-6-2-7-24-42,43-25-8-3-9-26-43)50-30-11-10-29-47(50)57(49)40-20-4-1-5-21-40/h1-36,52H
InChIKeyLAJQQNHYEZNZRK-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 10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,21,21-triphenyl-8,10,14-triaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,21,21-triphenyl-8,10,14-triaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?
The IUPAC name of 10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,21,21-triphenyl-8,10,14-triaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene (CID 140953675) is 10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,21,21-triphenyl-8,10,14-triaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene.
What is the SMILES notation for 10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,21,21-triphenyl-8,10,14-triaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?
The canonical SMILES for 10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,21,21-triphenyl-8,10,14-triaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene is FC(c1cccc(-c2ccccn2)c1)c1cccc(-n2c3cc4c(cc3c3cccnc32)[Si](c2ccccc2)(c2ccccc2)c2ccccc2N4c2ccccc2)c1.
What is the InChIKey of 10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,21,21-triphenyl-8,10,14-triaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?
The InChIKey is LAJQQNHYEZNZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37FN4Si/c54-52(38-18-14-17-37(33-38)46-28-12-13-31-55-46)39-19-15-22-41(34-39)58-48-36-49-51(35-45(48)44-27-16-32-56-53(44)58)59(42-23-6-2-7-24-42,43-25-8-3-9-26-43)50-30-11-10-29-47(50)57(49)40-20-4-1-5-21-40/h1-36,52H.
What are the key properties of 10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,21,21-triphenyl-8,10,14-triaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?
10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,21,21-triphenyl-8,10,14-triaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-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 10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,21,21-triphenyl-8,10,14-triaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene is sourced from PubChem (CID 140953675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).