21-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14,14-diphenyl-3-thia-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene

C51H33FN4SSi — CID 140955968

IUPAC21-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14,14-diphenyl-3-thia-19,21-diaza-14-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(N2c3ncccc3[Si](c3ccccc3)(c3ccccc3)c3ccc4c(sc5ccccc54)c32)c1)c1ccc2c3ccccc3n3ccnc3c2c1
InChIInChI=1S/C51H33FN4SSi/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)56-48-45(27-26-41-40-20-8-10-22-44(40)57-49(41)48)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
InChIKeyPWYAFODZPWGVDY-UHFFFAOYSA-N
MW781.00 g/mol
LogP10.62
Rot. Bonds5

About 21-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14,14-diphenyl-3-thia-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene

21-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14,14-diphenyl-3-thia-19,21-diaza-14-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 140955968) has the molecular formula C51H33FN4SSi and a molecular weight of 781.00 g/mol. Its IUPAC name is 21-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14,14-diphenyl-3-thia-19,21-diaza-14-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 Name21-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14,14-diphenyl-3-thia-19,21-diaza-14-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 CID140955968
Molecular FormulaC51H33FN4SSi
Molecular Weight781.00 g/mol
Exact Mass780.22
IUPAC Name21-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14,14-diphenyl-3-thia-19,21-diaza-14-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(N2c3ncccc3[Si](c3ccccc3)(c3ccccc3)c3ccc4c(sc5ccccc54)c32)c1)c1ccc2c3ccccc3n3ccnc3c2c1
InChIInChI=1S/C51H33FN4SSi/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)56-48-45(27-26-41-40-20-8-10-22-44(40)57-49(41)48)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
InChIKeyPWYAFODZPWGVDY-UHFFFAOYSA-N
XLogP10.62
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.00
LogP ≤ 510.62
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 21-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14,14-diphenyl-3-thia-19,21-diaza-14-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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Related Compounds

18-imidazo[1,2-f]phenanthridin-11-yloxy-14,14-diphenyl-21-pyridin-2-yl-3-thia-21-aza-14-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 140952638
[3-(14,14-diphenyl-9-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-21-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
CID 140953288
10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14-phenyl-8,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 140952311
7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-10-pyridin-2-yl-14-thia-10-aza-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 140953996
9-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14-thia-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene
CID 140952045
10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole
CID 140955324
imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(14,14,21-triphenyl-7,9,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]silane
CID 140953699
20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 140954187
18-imidazo[1,2-f]phenanthridin-11-yloxy-14,14-diphenyl-21-pyridin-2-yl-10-thia-21-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 140953592
7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole
CID 140954675
[3-(14,14-diphenyl-21-thia-3,5-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaen-3-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
CID 140955578
3-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-oxa-3,5-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 140955929

Frequently Asked Questions

What is the IUPAC name of 21-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14,14-diphenyl-3-thia-19,21-diaza-14-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 21-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14,14-diphenyl-3-thia-19,21-diaza-14-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 140955968) is 21-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14,14-diphenyl-3-thia-19,21-diaza-14-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 21-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14,14-diphenyl-3-thia-19,21-diaza-14-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 21-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14,14-diphenyl-3-thia-19,21-diaza-14-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(N2c3ncccc3[Si](c3ccccc3)(c3ccccc3)c3ccc4c(sc5ccccc54)c32)c1)c1ccc2c3ccccc3n3ccnc3c2c1.
What is the InChIKey of 21-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14,14-diphenyl-3-thia-19,21-diaza-14-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 PWYAFODZPWGVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33FN4SSi/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)56-48-45(27-26-41-40-20-8-10-22-44(40)57-49(41)48)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 21-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14,14-diphenyl-3-thia-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene?
21-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14,14-diphenyl-3-thia-19,21-diaza-14-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 781.00 g/mol, XLogP of 10.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 21-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14,14-diphenyl-3-thia-19,21-diaza-14-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 140955968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).