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

C46H31N3O2Si — CID 140953225

IUPAC14,14-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
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3Oc3cc4c5ccc(Oc6cccc(-c7ccccn7)c6)cc5n(-c5ccccn5)c4cc32)cc1
InChIInChI=1S/C46H31N3O2Si/c1-3-16-35(17-4-1)52(36-18-5-2-6-19-36)44-22-8-7-21-42(44)51-43-30-38-37-25-24-34(50-33-15-13-14-32(28-33)39-20-9-11-26-47-39)29-40(37)49(41(38)31-45(43)52)46-23-10-12-27-48-46/h1-31H
InChIKeyANODEYAUVGBDDX-UHFFFAOYSA-N
MW685.86 g/mol
LogP8.52
Rot. Bonds6

About 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

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 (PubChem CID 140953225) has the molecular formula C46H31N3O2Si and a molecular weight of 685.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14,14-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
PubChem CID140953225
Molecular FormulaC46H31N3O2Si
Molecular Weight685.86 g/mol
Exact Mass685.22
IUPAC Name14,14-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
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3Oc3cc4c5ccc(Oc6cccc(-c7ccccn7)c6)cc5n(-c5ccccn5)c4cc32)cc1
InChIInChI=1S/C46H31N3O2Si/c1-3-16-35(17-4-1)52(36-18-5-2-6-19-36)44-22-8-7-21-42(44)51-43-30-38-37-25-24-34(50-33-15-13-14-32(28-33)39-20-9-11-26-47-39)29-40(37)49(41(38)31-45(43)52)46-23-10-12-27-48-46/h1-31H
InChIKeyANODEYAUVGBDDX-UHFFFAOYSA-N
XLogP8.52
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.86
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

CID 162483162
CID 162483162
(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
2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole
CID 90290347
21,21-dimethyl-14-phenyl-10-pyridin-2-yl-7-(3-pyridin-2-ylphenoxy)-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 140953723
10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-14-oxa-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 140951602
9-(4-tert-butyl-2-pyridinyl)-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile
CID 155635938
9-pyridin-2-yl-2-(3-quinolin-2-ylphenoxy)carbazole
CID 161376299
8,8-dimethyl-13-phenyl-5-pyridin-2-yl-3-(3-pyridin-2-ylphenoxy)indolo[2,3-c]acridine
CID 140954813
5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole
CID 140884641
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
CID 141495117
2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 170654817
1,2,7,8-tetramethyl-9-[2-[2-(3-pyridin-2-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole
CID 171769380

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc([Si]2(c3ccccc3)c3ccccc3Oc3cc4c5ccc(Oc6cccc(-c7ccccn7)c6)cc5n(-c5ccccn5)c4cc32)cc1.
What is the InChIKey of 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?
The InChIKey is ANODEYAUVGBDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3O2Si/c1-3-16-35(17-4-1)52(36-18-5-2-6-19-36)44-22-8-7-21-42(44)51-43-30-38-37-25-24-34(50-33-15-13-14-32(28-33)39-20-9-11-26-47-39)29-40(37)49(41(38)31-45(43)52)46-23-10-12-27-48-46/h1-31H.
What are the key properties of 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?
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 has a molecular weight of 685.86 g/mol, XLogP of 8.52, 6 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-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 is sourced from PubChem (CID 140953225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).