14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene

C51H33FN4OSi — CID 140953362

IUPAC14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene
SMILESFC(c1cccc(N2c3ccc4c(oc5ccccc54)c3[Si](c3ccccc3)(c3ccccc3)c3cccnc32)c1)c1ccc2c3ccccc3n3ccnc3c2c1
InChIInChI=1S/C51H33FN4OSi/c52-47(34-24-25-38-39-19-7-9-21-43(39)55-30-29-54-50(55)42(38)32-34)33-13-11-14-35(31-33)56-44-27-26-41-40-20-8-10-22-45(40)57-48(41)49(44)58(36-15-3-1-4-16-36,37-17-5-2-6-18-37)46-23-12-28-53-51(46)56/h1-32,47H
InChIKeyKYIZOBZXCSEFTM-UHFFFAOYSA-N
MW764.94 g/mol
LogP10.15
Rot. Bonds5

About 14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene

14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene (PubChem CID 140953362) has the molecular formula C51H33FN4OSi and a molecular weight of 764.94 g/mol. Its IUPAC name is 14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene
PubChem CID140953362
Molecular FormulaC51H33FN4OSi
Molecular Weight764.94 g/mol
Exact Mass764.24
IUPAC Name14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene
SMILESFC(c1cccc(N2c3ccc4c(oc5ccccc54)c3[Si](c3ccccc3)(c3ccccc3)c3cccnc32)c1)c1ccc2c3ccccc3n3ccnc3c2c1
InChIInChI=1S/C51H33FN4OSi/c52-47(34-24-25-38-39-19-7-9-21-43(39)55-30-29-54-50(55)42(38)32-34)33-13-11-14-35(31-33)56-44-27-26-41-40-20-8-10-22-45(40)57-48(41)49(44)58(36-15-3-1-4-16-36,37-17-5-2-6-18-37)46-23-12-28-53-51(46)56/h1-32,47H
InChIKeyKYIZOBZXCSEFTM-UHFFFAOYSA-N
XLogP10.15
TPSA46.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.94
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene?
The IUPAC name of 14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene (CID 140953362) is 14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene.
What is the SMILES notation for 14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene?
The canonical SMILES for 14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene is FC(c1cccc(N2c3ccc4c(oc5ccccc54)c3[Si](c3ccccc3)(c3ccccc3)c3cccnc32)c1)c1ccc2c3ccccc3n3ccnc3c2c1.
What is the InChIKey of 14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene?
The InChIKey is KYIZOBZXCSEFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33FN4OSi/c52-47(34-24-25-38-39-19-7-9-21-43(39)55-30-29-54-50(55)42(38)32-34)33-13-11-14-35(31-33)56-44-27-26-41-40-20-8-10-22-45(40)57-48(41)49(44)58(36-15-3-1-4-16-36,37-17-5-2-6-18-37)46-23-12-28-53-51(46)56/h1-32,47H.
What are the key properties of 14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene?
14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene has a molecular weight of 764.94 g/mol, XLogP of 10.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene is sourced from PubChem (CID 140953362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).