(14,14-diphenyl-10-pyridin-2-yl-21-oxa-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane

C61H44N4OSi2 — CID 140954781

IUPAC(14,14-diphenyl-10-pyridin-2-yl-21-oxa-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane
SMILESCn1c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c5cc6c(cc5n(-c5ccccn5)c4c3)[Si](c3ccccc3)(c3ccccc3)c3ccccc3O6)c2)nc2ccccc21
InChIInChI=1S/C61H44N4OSi2/c1-64-53-32-15-14-31-52(53)63-61(64)43-21-20-30-48(39-43)67(44-22-6-2-7-23-44,45-24-8-3-9-25-45)49-36-37-50-51-41-57-59(42-55(51)65(54(50)40-49)60-35-18-19-38-62-60)68(46-26-10-4-11-27-46,47-28-12-5-13-29-47)58-34-17-16-33-56(58)66-57/h2-42H,1H3
InChIKeyKGUFSAOFBSYJSN-UHFFFAOYSA-N
MW905.22 g/mol
LogP8.59
Rot. Bonds8

About (14,14-diphenyl-10-pyridin-2-yl-21-oxa-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane

(14,14-diphenyl-10-pyridin-2-yl-21-oxa-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane (PubChem CID 140954781) has the molecular formula C61H44N4OSi2 and a molecular weight of 905.22 g/mol. Its IUPAC name is (14,14-diphenyl-10-pyridin-2-yl-21-oxa-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane.

Molecular Properties

Compound Name(14,14-diphenyl-10-pyridin-2-yl-21-oxa-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane
PubChem CID140954781
Molecular FormulaC61H44N4OSi2
Molecular Weight905.22 g/mol
Exact Mass904.31
IUPAC Name(14,14-diphenyl-10-pyridin-2-yl-21-oxa-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane
SMILESCn1c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c5cc6c(cc5n(-c5ccccn5)c4c3)[Si](c3ccccc3)(c3ccccc3)c3ccccc3O6)c2)nc2ccccc21
InChIInChI=1S/C61H44N4OSi2/c1-64-53-32-15-14-31-52(53)63-61(64)43-21-20-30-48(39-43)67(44-22-6-2-7-23-44,45-24-8-3-9-25-45)49-36-37-50-51-41-57-59(42-55(51)65(54(50)40-49)60-35-18-19-38-62-60)68(46-26-10-4-11-27-46,47-28-12-5-13-29-47)58-34-17-16-33-56(58)66-57/h2-42H,1H3
InChIKeyKGUFSAOFBSYJSN-UHFFFAOYSA-N
XLogP8.59
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.22
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (14,14-diphenyl-10-pyridin-2-yl-21-oxa-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane with MolForge

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Related Compounds

(13,13-dimethyl-12-pyridin-2-ylchromeno[3,2-a]carbazol-10-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane
CID 140952280
[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenyl-(12,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazol-3-yl)silane
CID 140951902
[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane
CID 140953469
14,14-diphenyl-10-pyridin-2-yl-7-(3-pyridin-2-ylphenoxy)-21-oxa-10-aza-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 140953225
(13,13-dimethyl-5-phenyl-12-pyridin-2-ylindolo[2,3-a]acridin-10-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane
CID 140954034
CID 162483162
CID 162483162
(14,14-dimethyl-10-phenyl-21-pyridin-2-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane
CID 140951858
(21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaen-11-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane
CID 140953864
(13,13-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[3,2-a]carbazol-10-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
CID 140955845
3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole
CID 140954841
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
N-[3-(1-methylbenzimidazol-2-yl)phenyl]-N,2,3-triphenyl-1-pyridin-2-ylindol-6-amine
CID 140933281

Frequently Asked Questions

What is the IUPAC name of (14,14-diphenyl-10-pyridin-2-yl-21-oxa-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane?
The IUPAC name of (14,14-diphenyl-10-pyridin-2-yl-21-oxa-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane (CID 140954781) is (14,14-diphenyl-10-pyridin-2-yl-21-oxa-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane.
What is the SMILES notation for (14,14-diphenyl-10-pyridin-2-yl-21-oxa-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane?
The canonical SMILES for (14,14-diphenyl-10-pyridin-2-yl-21-oxa-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane is Cn1c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c5cc6c(cc5n(-c5ccccn5)c4c3)[Si](c3ccccc3)(c3ccccc3)c3ccccc3O6)c2)nc2ccccc21.
What is the InChIKey of (14,14-diphenyl-10-pyridin-2-yl-21-oxa-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane?
The InChIKey is KGUFSAOFBSYJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N4OSi2/c1-64-53-32-15-14-31-52(53)63-61(64)43-21-20-30-48(39-43)67(44-22-6-2-7-23-44,45-24-8-3-9-25-45)49-36-37-50-51-41-57-59(42-55(51)65(54(50)40-49)60-35-18-19-38-62-60)68(46-26-10-4-11-27-46,47-28-12-5-13-29-47)58-34-17-16-33-56(58)66-57/h2-42H,1H3.
What are the key properties of (14,14-diphenyl-10-pyridin-2-yl-21-oxa-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane?
(14,14-diphenyl-10-pyridin-2-yl-21-oxa-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane has a molecular weight of 905.22 g/mol, XLogP of 8.59, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (14,14-diphenyl-10-pyridin-2-yl-21-oxa-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane is sourced from PubChem (CID 140954781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).