21,21-dimethyl-10'-phenylspiro[10-oxa-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]

C39H29NOSi — CID 140853279

IUPAC21,21-dimethyl-10'-phenylspiro[10-oxa-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]
SMILESC[Si]1(C)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3ccccc32)c2cc3oc4ccccc4c3cc21
InChIInChI=1S/C39H29NOSi/c1-42(2)37-23-13-9-19-31(37)39(32-25-36-28(24-38(32)42)27-16-6-12-22-35(27)41-36)29-17-7-10-20-33(29)40(26-14-4-3-5-15-26)34-21-11-8-18-30(34)39/h3-25H,1-2H3
InChIKeyCACCUEJIKUDOTK-UHFFFAOYSA-N
MW555.75 g/mol
LogP8.89
Rot. Bonds1

About 21,21-dimethyl-10'-phenylspiro[10-oxa-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]

21,21-dimethyl-10'-phenylspiro[10-oxa-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] (PubChem CID 140853279) has the molecular formula C39H29NOSi and a molecular weight of 555.75 g/mol. Its IUPAC name is 21,21-dimethyl-10'-phenylspiro[10-oxa-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine].

Molecular Properties

Compound Name21,21-dimethyl-10'-phenylspiro[10-oxa-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]
PubChem CID140853279
Molecular FormulaC39H29NOSi
Molecular Weight555.75 g/mol
Exact Mass555.20
IUPAC Name21,21-dimethyl-10'-phenylspiro[10-oxa-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]
SMILESC[Si]1(C)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3ccccc32)c2cc3oc4ccccc4c3cc21
InChIInChI=1S/C39H29NOSi/c1-42(2)37-23-13-9-19-31(37)39(32-25-36-28(24-38(32)42)27-16-6-12-22-35(27)41-36)29-17-7-10-20-33(29)40(26-14-4-3-5-15-26)34-21-11-8-18-30(34)39/h3-25H,1-2H3
InChIKeyCACCUEJIKUDOTK-UHFFFAOYSA-N
XLogP8.89
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.75
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 21,21-dimethyl-10'-phenylspiro[10-oxa-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] with MolForge

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Related Compounds

10'-phenylspiro[10,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]
CID 134351783
10'-phenylspiro[10-oxa-14-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]
CID 134351785
2',7'-dimethyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-oxa-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]
CID 177278267
10-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-5',5'-dimethylspiro[acridine-9,10'-benzo[b][1]benzosiline]
CID 140943903
21-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-oxa-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-thioxanthene]
CID 177278421
2-tert-butyl-10'-dibenzofuran-3-yl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 176670412
2-(10-dibenzofuran-2-yl-9,9-dimethylacridin-2-yl)-9,9-dimethyl-10-phenylacridine
CID 70936026
2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine
CID 155483177
N-dibenzofuran-2-yl-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240558
N,14-diphenyl-N-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
CID 130463048
2'-[(1Z)-buta-1,3-dienyl]-3'-methyl-1'-phenylspiro[10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,4'-quinoline]
CID 134353475
N-(2-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166826

Frequently Asked Questions

What is the IUPAC name of 21,21-dimethyl-10'-phenylspiro[10-oxa-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]?
The IUPAC name of 21,21-dimethyl-10'-phenylspiro[10-oxa-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] (CID 140853279) is 21,21-dimethyl-10'-phenylspiro[10-oxa-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine].
What is the SMILES notation for 21,21-dimethyl-10'-phenylspiro[10-oxa-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]?
The canonical SMILES for 21,21-dimethyl-10'-phenylspiro[10-oxa-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] is C[Si]1(C)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3ccccc32)c2cc3oc4ccccc4c3cc21.
What is the InChIKey of 21,21-dimethyl-10'-phenylspiro[10-oxa-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]?
The InChIKey is CACCUEJIKUDOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29NOSi/c1-42(2)37-23-13-9-19-31(37)39(32-25-36-28(24-38(32)42)27-16-6-12-22-35(27)41-36)29-17-7-10-20-33(29)40(26-14-4-3-5-15-26)34-21-11-8-18-30(34)39/h3-25H,1-2H3.
What are the key properties of 21,21-dimethyl-10'-phenylspiro[10-oxa-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]?
21,21-dimethyl-10'-phenylspiro[10-oxa-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] has a molecular weight of 555.75 g/mol, XLogP of 8.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 21,21-dimethyl-10'-phenylspiro[10-oxa-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] is sourced from PubChem (CID 140853279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).