17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-9-thia-14-aza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene

C51H33FN4SSi — CID 140951614

IUPAC17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-9-thia-14-aza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
SMILESFC(c1ccc2c(c1)N(c1ccccn1)c1ccc3sc4ccccc4c3c1[Si]2(c1ccccc1)c1ccccc1)c1ccc2c3ccccc3n3ccnc3c2c1
InChIInChI=1S/C51H33FN4SSi/c52-49(33-22-24-37-38-17-7-9-19-41(38)55-30-29-54-51(55)40(37)31-33)34-23-27-46-43(32-34)56(47-21-11-12-28-53-47)42-25-26-45-48(39-18-8-10-20-44(39)57-45)50(42)58(46,35-13-3-1-4-14-35)36-15-5-2-6-16-36/h1-32,49H
InChIKeyPIZBKNFBWBNVCF-UHFFFAOYSA-N
MW781.00 g/mol
LogP10.62
Rot. Bonds5

About 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-9-thia-14-aza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene

17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-9-thia-14-aza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene (PubChem CID 140951614) has the molecular formula C51H33FN4SSi and a molecular weight of 781.00 g/mol. Its IUPAC name is 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-9-thia-14-aza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-9-thia-14-aza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
PubChem CID140951614
Molecular FormulaC51H33FN4SSi
Molecular Weight781.00 g/mol
Exact Mass780.22
IUPAC Name17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-9-thia-14-aza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
SMILESFC(c1ccc2c(c1)N(c1ccccn1)c1ccc3sc4ccccc4c3c1[Si]2(c1ccccc1)c1ccccc1)c1ccc2c3ccccc3n3ccnc3c2c1
InChIInChI=1S/C51H33FN4SSi/c52-49(33-22-24-37-38-17-7-9-19-41(38)55-30-29-54-51(55)40(37)31-33)34-23-27-46-43(32-34)56(47-21-11-12-28-53-47)42-25-26-45-48(39-18-8-10-20-44(39)57-45)50(42)58(46,35-13-3-1-4-14-35)36-15-5-2-6-16-36/h1-32,49H
InChIKeyPIZBKNFBWBNVCF-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 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-9-thia-14-aza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene with MolForge

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Related Compounds

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CID 155544174
6-(6-Thiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)quinoline
CID 155568714
3-[3-(Benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
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6-[(8-Fluoro-6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline
CID 71666370
N-(2-fluorophenyl)-N-[7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzothiophen-2-yl]pyridin-2-amine
CID 90363919
8-Fluoro-4-[(2-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline
CID 90884664
N-(2-fluorophenyl)-N-[7-[2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzothiophen-2-yl]pyridin-2-amine
CID 123641818
8-Butyl-14-[2-[7,8-diethyl-7-methyl-4-(trifluoromethyl)-3,5,6-triaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl]ethyl]-22-methyl-3-thia-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 123807360
8-Butyl-14-[2-[7,8-diethyl-7-methyl-4-(trifluoromethyl)-3,5,6-triaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl]ethyl]-3-thia-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 123994889
3-(1-Benzothiophen-2-ylmethyl)-2-ethyl-4-methyl-6-[1-(3-methylimidazol-4-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]quinoline
CID 129131680
4-[10-[4-(2,6-Difluoro-3-pyridinyl)phenyl]anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
CID 134389065

Frequently Asked Questions

What is the IUPAC name of 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-9-thia-14-aza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
The IUPAC name of 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-9-thia-14-aza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene (CID 140951614) is 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-9-thia-14-aza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene.
What is the SMILES notation for 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-9-thia-14-aza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
The canonical SMILES for 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-9-thia-14-aza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene is FC(c1ccc2c(c1)N(c1ccccn1)c1ccc3sc4ccccc4c3c1[Si]2(c1ccccc1)c1ccccc1)c1ccc2c3ccccc3n3ccnc3c2c1.
What is the InChIKey of 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-9-thia-14-aza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
The InChIKey is PIZBKNFBWBNVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33FN4SSi/c52-49(33-22-24-37-38-17-7-9-19-41(38)55-30-29-54-51(55)40(37)31-33)34-23-27-46-43(32-34)56(47-21-11-12-28-53-47)42-25-26-45-48(39-18-8-10-20-44(39)57-45)50(42)58(46,35-13-3-1-4-14-35)36-15-5-2-6-16-36/h1-32,49H.
What are the key properties of 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-9-thia-14-aza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-9-thia-14-aza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(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 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-9-thia-14-aza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene is sourced from PubChem (CID 140951614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).