9-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-21,21-diphenyl-14-thia-7,9-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

C50H35FN4SSi — CID 140951722

IUPAC9-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-21,21-diphenyl-14-thia-7,9-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESCn1c(-c2cccc(C(F)c3cccc(-n4c5ccc6c(c5c5cccnc54)[Si](c4ccccc4)(c4ccccc4)c4ccccc4S6)c3)c2)nc2ccccc21
InChIInChI=1S/C50H35FN4SSi/c1-54-41-25-9-8-24-40(41)53-49(54)35-17-12-15-33(31-35)47(51)34-16-13-18-36(32-34)55-42-28-29-44-48(46(42)39-23-14-30-52-50(39)55)57(37-19-4-2-5-20-37,38-21-6-3-7-22-38)45-27-11-10-26-43(45)56-44/h2-32,47H,1H3
InChIKeyQYOPEDZKEPAWJY-UHFFFAOYSA-N
MW771.01 g/mol
LogP9.63
Rot. Bonds6

About 9-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-21,21-diphenyl-14-thia-7,9-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

9-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-21,21-diphenyl-14-thia-7,9-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (PubChem CID 140951722) has the molecular formula C50H35FN4SSi and a molecular weight of 771.01 g/mol. Its IUPAC name is 9-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-21,21-diphenyl-14-thia-7,9-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

Molecular Properties

Compound Name9-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-21,21-diphenyl-14-thia-7,9-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
PubChem CID140951722
Molecular FormulaC50H35FN4SSi
Molecular Weight771.01 g/mol
Exact Mass770.23
IUPAC Name9-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-21,21-diphenyl-14-thia-7,9-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESCn1c(-c2cccc(C(F)c3cccc(-n4c5ccc6c(c5c5cccnc54)[Si](c4ccccc4)(c4ccccc4)c4ccccc4S6)c3)c2)nc2ccccc21
InChIInChI=1S/C50H35FN4SSi/c1-54-41-25-9-8-24-40(41)53-49(54)35-17-12-15-33(31-35)47(51)34-16-13-18-36(32-34)55-42-28-29-44-48(46(42)39-23-14-30-52-50(39)55)57(37-19-4-2-5-20-37,38-21-6-3-7-22-38)45-27-11-10-26-43(45)56-44/h2-32,47H,1H3
InChIKeyQYOPEDZKEPAWJY-UHFFFAOYSA-N
XLogP9.63
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.01
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-21,21-diphenyl-14-thia-7,9-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene with MolForge

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Related Compounds

10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-21,21-diphenyl-14-thia-8,10-diaza-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 140952770
10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14,21-triphenyl-8,10,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 140954631
9-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 140955746
9-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-20-phenyl-7,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 140951836
9-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14-diphenyl-21-thia-7,9-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 140953010
9-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-20-phenyl-9,11,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
CID 140953493
9-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-14-oxa-7,9-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 140954723
7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[2,3-c]carbazole
CID 140951950
9-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14-diphenyl-21-thia-9,11-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene
CID 140954729
10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole
CID 140952067
10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-21,21-dimethyl-14-oxa-8,10-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 140952111
[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenyl-[3-(14-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]silane
CID 140952185

Frequently Asked Questions

What is the IUPAC name of 9-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-21,21-diphenyl-14-thia-7,9-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The IUPAC name of 9-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-21,21-diphenyl-14-thia-7,9-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (CID 140951722) is 9-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-21,21-diphenyl-14-thia-7,9-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.
What is the SMILES notation for 9-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-21,21-diphenyl-14-thia-7,9-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The canonical SMILES for 9-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-21,21-diphenyl-14-thia-7,9-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is Cn1c(-c2cccc(C(F)c3cccc(-n4c5ccc6c(c5c5cccnc54)[Si](c4ccccc4)(c4ccccc4)c4ccccc4S6)c3)c2)nc2ccccc21.
What is the InChIKey of 9-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-21,21-diphenyl-14-thia-7,9-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The InChIKey is QYOPEDZKEPAWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35FN4SSi/c1-54-41-25-9-8-24-40(41)53-49(54)35-17-12-15-33(31-35)47(51)34-16-13-18-36(32-34)55-42-28-29-44-48(46(42)39-23-14-30-52-50(39)55)57(37-19-4-2-5-20-37,38-21-6-3-7-22-38)45-27-11-10-26-43(45)56-44/h2-32,47H,1H3.
What are the key properties of 9-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-21,21-diphenyl-14-thia-7,9-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
9-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-21,21-diphenyl-14-thia-7,9-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene has a molecular weight of 771.01 g/mol, XLogP of 9.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-21,21-diphenyl-14-thia-7,9-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is sourced from PubChem (CID 140951722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).