18-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-14,14-diphenyl-21-pyridin-2-yl-3-oxa-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

C50H35FN4OSi — CID 140954135

IUPAC18-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-14,14-diphenyl-21-pyridin-2-yl-3-oxa-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
SMILESCn1c(-c2cccc(C(F)c3ccc4c(c3)N(c3ccccn3)c3c(ccc5c3oc3ccccc35)[Si]4(c3ccccc3)c3ccccc3)c2)nc2ccccc21
InChIInChI=1S/C50H35FN4OSi/c1-54-41-23-10-9-22-40(41)53-50(54)35-16-14-15-33(31-35)47(51)34-26-28-44-42(32-34)55(46-25-12-13-30-52-46)48-45(29-27-39-38-21-8-11-24-43(38)56-49(39)48)57(44,36-17-4-2-5-18-36)37-19-6-3-7-20-37/h2-32,47H,1H3
InChIKeyVRYYTFIGQJGLSW-UHFFFAOYSA-N
MW754.94 g/mol
LogP9.75
Rot. Bonds6

About 18-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-14,14-diphenyl-21-pyridin-2-yl-3-oxa-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

18-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-14,14-diphenyl-21-pyridin-2-yl-3-oxa-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 (PubChem CID 140954135) has the molecular formula C50H35FN4OSi and a molecular weight of 754.94 g/mol. Its IUPAC name is 18-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-14,14-diphenyl-21-pyridin-2-yl-3-oxa-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.

Molecular Properties

Compound Name18-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-14,14-diphenyl-21-pyridin-2-yl-3-oxa-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
PubChem CID140954135
Molecular FormulaC50H35FN4OSi
Molecular Weight754.94 g/mol
Exact Mass754.26
IUPAC Name18-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-14,14-diphenyl-21-pyridin-2-yl-3-oxa-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
SMILESCn1c(-c2cccc(C(F)c3ccc4c(c3)N(c3ccccn3)c3c(ccc5c3oc3ccccc35)[Si]4(c3ccccc3)c3ccccc3)c2)nc2ccccc21
InChIInChI=1S/C50H35FN4OSi/c1-54-41-23-10-9-22-40(41)53-50(54)35-16-14-15-33(31-35)47(51)34-26-28-44-42(32-34)55(46-25-12-13-30-52-46)48-45(29-27-39-38-21-8-11-24-43(38)56-49(39)48)57(44,36-17-4-2-5-18-36)37-19-6-3-7-20-37/h2-32,47H,1H3
InChIKeyVRYYTFIGQJGLSW-UHFFFAOYSA-N
XLogP9.75
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.94
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 18-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-14,14-diphenyl-21-pyridin-2-yl-3-oxa-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 with MolForge

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Related Compounds

2-[3-[1-Benzofuran-2-yl(phenyl)methyl]benzimidazol-1-ium-1-yl]-1-phenylethanone bromide
CID 71509890
2-[3-[1-Benzofuran-2-yl(phenyl)methyl]benzimidazol-1-ium-1-yl]-1-(4-fluorophenyl)ethanone bromide
CID 71510045
2-[3-[1-Benzofuran-2-yl(phenyl)methyl]benzimidazol-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide
CID 71510047
1-[1-Benzofuran-2-yl(phenyl)methyl]-3-benzylbenzimidazol-3-ium bromide
CID 71510176
1-[1-Benzofuran-2-yl(phenyl)methyl]-3-butylbenzimidazol-3-ium iodide
CID 71510182
2-[3-[Dibenzofuran-2-yl(phenyl)methyl]benzimidazol-1-ium-1-yl]-1-phenylethanone bromide
CID 72203954
2-[3-[Dibenzofuran-2-yl(phenyl)methyl]benzimidazol-1-ium-1-yl]-1-(4-fluorophenyl)ethanone bromide
CID 72203962
2-[3-(1-Dibenzofuran-2-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-fluorophenyl)ethanone bromide
CID 72206021
2-[3-(1-Dibenzofuran-2-ylethyl)benzimidazol-1-ium-1-yl]-1,2-diphenylethanone bromide
CID 72206194
1-[1-Benzofuran-2-yl(phenyl)methyl]benzimidazole
CID 71652676
3-[3-(1-Benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 71699623
US12492202, Example 33
CID 178255121

Frequently Asked Questions

What is the IUPAC name of 18-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-14,14-diphenyl-21-pyridin-2-yl-3-oxa-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?
The IUPAC name of 18-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-14,14-diphenyl-21-pyridin-2-yl-3-oxa-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 140954135) is 18-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-14,14-diphenyl-21-pyridin-2-yl-3-oxa-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.
What is the SMILES notation for 18-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-14,14-diphenyl-21-pyridin-2-yl-3-oxa-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?
The canonical SMILES for 18-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-14,14-diphenyl-21-pyridin-2-yl-3-oxa-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 is Cn1c(-c2cccc(C(F)c3ccc4c(c3)N(c3ccccn3)c3c(ccc5c3oc3ccccc35)[Si]4(c3ccccc3)c3ccccc3)c2)nc2ccccc21.
What is the InChIKey of 18-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-14,14-diphenyl-21-pyridin-2-yl-3-oxa-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?
The InChIKey is VRYYTFIGQJGLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35FN4OSi/c1-54-41-23-10-9-22-40(41)53-50(54)35-16-14-15-33(31-35)47(51)34-26-28-44-42(32-34)55(46-25-12-13-30-52-46)48-45(29-27-39-38-21-8-11-24-43(38)56-49(39)48)57(44,36-17-4-2-5-18-36)37-19-6-3-7-20-37/h2-32,47H,1H3.
What are the key properties of 18-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-14,14-diphenyl-21-pyridin-2-yl-3-oxa-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?
18-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-14,14-diphenyl-21-pyridin-2-yl-3-oxa-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 has a molecular weight of 754.94 g/mol, XLogP of 9.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 18-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-14,14-diphenyl-21-pyridin-2-yl-3-oxa-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 is sourced from PubChem (CID 140954135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).