[3-(21,21-dimethyl-14-oxa-7,9-diazapentacyclo[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]-diphenyl-(3-pyridin-2-ylphenyl)silane

C49H37N3OSi — CID 140952781

IUPAC[3-(21,21-dimethyl-14-oxa-7,9-diazapentacyclo[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]-diphenyl-(3-pyridin-2-ylphenyl)silane
SMILESCC1(C)c2ccccc2Oc2ccc3c(c21)c1cccnc1n3-c1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccccn3)c2)c1
InChIInChI=1S/C49H37N3OSi/c1-49(2)41-25-9-10-27-44(41)53-45-29-28-43-46(47(45)49)40-24-15-31-51-48(40)52(43)35-17-14-23-39(33-35)54(36-18-5-3-6-19-36,37-20-7-4-8-21-37)38-22-13-16-34(32-38)42-26-11-12-30-50-42/h3-33H,1-2H3
InChIKeyPLOZEENIGICSIJ-UHFFFAOYSA-N
MW711.94 g/mol
LogP9.05
Rot. Bonds6

About [3-(21,21-dimethyl-14-oxa-7,9-diazapentacyclo[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]-diphenyl-(3-pyridin-2-ylphenyl)silane

[3-(21,21-dimethyl-14-oxa-7,9-diazapentacyclo[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]-diphenyl-(3-pyridin-2-ylphenyl)silane (PubChem CID 140952781) has the molecular formula C49H37N3OSi and a molecular weight of 711.94 g/mol. Its IUPAC name is [3-(21,21-dimethyl-14-oxa-7,9-diazapentacyclo[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]-diphenyl-(3-pyridin-2-ylphenyl)silane.

Molecular Properties

Compound Name[3-(21,21-dimethyl-14-oxa-7,9-diazapentacyclo[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]-diphenyl-(3-pyridin-2-ylphenyl)silane
PubChem CID140952781
Molecular FormulaC49H37N3OSi
Molecular Weight711.94 g/mol
Exact Mass711.27
IUPAC Name[3-(21,21-dimethyl-14-oxa-7,9-diazapentacyclo[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]-diphenyl-(3-pyridin-2-ylphenyl)silane
SMILESCC1(C)c2ccccc2Oc2ccc3c(c21)c1cccnc1n3-c1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccccn3)c2)c1
InChIInChI=1S/C49H37N3OSi/c1-49(2)41-25-9-10-27-44(41)53-45-29-28-43-46(47(45)49)40-24-15-31-51-48(40)52(43)35-17-14-23-39(33-35)54(36-18-5-3-6-19-36,37-20-7-4-8-21-37)38-22-13-16-34(32-38)42-26-11-12-30-50-42/h3-33H,1-2H3
InChIKeyPLOZEENIGICSIJ-UHFFFAOYSA-N
XLogP9.05
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.94
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-(21,21-dimethyl-14-oxa-7,9-diazapentacyclo[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]-diphenyl-(3-pyridin-2-ylphenyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(14,14-diphenyl-21-oxa-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-nonaen-9-yl)phenyl]-diphenyl-(3-pyridin-2-ylphenyl)silane
CID 140952220
[3-(14,14-dimethyl-21-thia-9,11-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(3-pyridin-2-ylphenyl)silane
CID 140951942
9-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-21,21-dimethyl-14-oxa-9,11-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene
CID 140953062
diphenyl-(3-phenylphenyl)-(9-phenylpyrido[2,3-b]indol-6-yl)silane
CID 158596767
[3-(14,14-dimethyl-9-oxa-19,21-diazapentacyclo[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]-diphenyl-(3-pyridin-2-ylphenyl)silane
CID 140954646
[3-(21,21-dimethyl-9-oxa-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaen-14-yl)phenyl]-diphenyl-(3-pyridin-2-ylphenyl)silane
CID 140954562
diphenyl-(3-pyridin-2-ylphenyl)-[3-(9-thia-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-nonaen-20-yl)phenyl]silane
CID 140953211
9-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-3'-yl)pyrido[2,3-b]indole
CID 118698518
[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylpyrido[2,3-b]indol-6-yl)silane
CID 158724090
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
[3-(14,14-dimethyl-21-oxa-9,11-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaen-9-yl)phenyl]-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane
CID 140952698
(13,13-dimethyl-5-phenyl-8-pyridin-2-ylindolo[3,2-a]acridin-6-yl)-diphenyl-(3-pyridin-2-ylphenyl)silane
CID 140952474

Frequently Asked Questions

What is the IUPAC name of [3-(21,21-dimethyl-14-oxa-7,9-diazapentacyclo[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]-diphenyl-(3-pyridin-2-ylphenyl)silane?
The IUPAC name of [3-(21,21-dimethyl-14-oxa-7,9-diazapentacyclo[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]-diphenyl-(3-pyridin-2-ylphenyl)silane (CID 140952781) is [3-(21,21-dimethyl-14-oxa-7,9-diazapentacyclo[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]-diphenyl-(3-pyridin-2-ylphenyl)silane.
What is the SMILES notation for [3-(21,21-dimethyl-14-oxa-7,9-diazapentacyclo[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]-diphenyl-(3-pyridin-2-ylphenyl)silane?
The canonical SMILES for [3-(21,21-dimethyl-14-oxa-7,9-diazapentacyclo[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]-diphenyl-(3-pyridin-2-ylphenyl)silane is CC1(C)c2ccccc2Oc2ccc3c(c21)c1cccnc1n3-c1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccccn3)c2)c1.
What is the InChIKey of [3-(21,21-dimethyl-14-oxa-7,9-diazapentacyclo[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]-diphenyl-(3-pyridin-2-ylphenyl)silane?
The InChIKey is PLOZEENIGICSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N3OSi/c1-49(2)41-25-9-10-27-44(41)53-45-29-28-43-46(47(45)49)40-24-15-31-51-48(40)52(43)35-17-14-23-39(33-35)54(36-18-5-3-6-19-36,37-20-7-4-8-21-37)38-22-13-16-34(32-38)42-26-11-12-30-50-42/h3-33H,1-2H3.
What are the key properties of [3-(21,21-dimethyl-14-oxa-7,9-diazapentacyclo[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]-diphenyl-(3-pyridin-2-ylphenyl)silane?
[3-(21,21-dimethyl-14-oxa-7,9-diazapentacyclo[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]-diphenyl-(3-pyridin-2-ylphenyl)silane has a molecular weight of 711.94 g/mol, XLogP of 9.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(21,21-dimethyl-14-oxa-7,9-diazapentacyclo[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]-diphenyl-(3-pyridin-2-ylphenyl)silane is sourced from PubChem (CID 140952781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).