7,15-dimethyl-1,2,3,4,7,10,11,12,13,15-decakis-phenyl-6,8,14,16-tetraoxa-5,7,9,15-tetrasiladispiro[4.3.49.35]hexadeca-1,3,10,12-tetraene

C70H56O4Si4 — CID 122232420

IUPAC7,15-dimethyl-1,2,3,4,7,10,11,12,13,15-decakis-phenyl-6,8,14,16-tetraoxa-5,7,9,15-tetrasiladispiro[4.3.49.35]hexadeca-1,3,10,12-tetraene
SMILESC[Si@]1(c2ccccc2)O[Si]2(O[Si@](C)(c3ccccc3)O[Si]3(O1)C(c1ccccc1)=C(c1ccccc1)C(c1ccccc1)=C3c1ccccc1)C(c1ccccc1)=C(c1ccccc1)C(c1ccccc1)=C2c1ccccc1
InChIInChI=1S/C70H56O4Si4/c1-75(61-49-29-11-30-50-61)71-77(67(57-41-21-7-22-42-57)63(53-33-13-3-14-34-53)64(54-35-15-4-16-36-54)68(77)58-43-23-8-24-44-58)73-76(2,62-51-31-12-32-52-62)74-78(72-75)69(59-45-25-9-26-46-59)65(55-37-17-5-18-38-55)66(56-39-19-6-20-40-56)70(78)60-47-27-10-28-48-60/h3-52H,1-2H3/t75-,76-
InChIKeyBVCMIZJUXMEYFU-YEZLLYRCSA-N
MW1073.56 g/mol
LogP15.54
Rot. Bonds10

About 7,15-dimethyl-1,2,3,4,7,10,11,12,13,15-decakis-phenyl-6,8,14,16-tetraoxa-5,7,9,15-tetrasiladispiro[4.3.49.35]hexadeca-1,3,10,12-tetraene

7,15-dimethyl-1,2,3,4,7,10,11,12,13,15-decakis-phenyl-6,8,14,16-tetraoxa-5,7,9,15-tetrasiladispiro[4.3.49.35]hexadeca-1,3,10,12-tetraene (PubChem CID 122232420) has the molecular formula C70H56O4Si4 and a molecular weight of 1073.56 g/mol. Its IUPAC name is 7,15-dimethyl-1,2,3,4,7,10,11,12,13,15-decakis-phenyl-6,8,14,16-tetraoxa-5,7,9,15-tetrasiladispiro[4.3.49.35]hexadeca-1,3,10,12-tetraene.

Molecular Properties

Compound Name7,15-dimethyl-1,2,3,4,7,10,11,12,13,15-decakis-phenyl-6,8,14,16-tetraoxa-5,7,9,15-tetrasiladispiro[4.3.49.35]hexadeca-1,3,10,12-tetraene
PubChem CID122232420
Molecular FormulaC70H56O4Si4
Molecular Weight1073.56 g/mol
Exact Mass1072.33
IUPAC Name7,15-dimethyl-1,2,3,4,7,10,11,12,13,15-decakis-phenyl-6,8,14,16-tetraoxa-5,7,9,15-tetrasiladispiro[4.3.49.35]hexadeca-1,3,10,12-tetraene
SMILESC[Si@]1(c2ccccc2)O[Si]2(O[Si@](C)(c3ccccc3)O[Si]3(O1)C(c1ccccc1)=C(c1ccccc1)C(c1ccccc1)=C3c1ccccc1)C(c1ccccc1)=C(c1ccccc1)C(c1ccccc1)=C2c1ccccc1
InChIInChI=1S/C70H56O4Si4/c1-75(61-49-29-11-30-50-61)71-77(67(57-41-21-7-22-42-57)63(53-33-13-3-14-34-53)64(54-35-15-4-16-36-54)68(77)58-43-23-8-24-44-58)73-76(2,62-51-31-12-32-52-62)74-78(72-75)69(59-45-25-9-26-46-59)65(55-37-17-5-18-38-55)66(56-39-19-6-20-40-56)70(78)60-47-27-10-28-48-60/h3-52H,1-2H3/t75-,76-
InChIKeyBVCMIZJUXMEYFU-YEZLLYRCSA-N
XLogP15.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001073.56
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7,15-dimethyl-1,2,3,4,7,10,11,12,13,15-decakis-phenyl-6,8,14,16-tetraoxa-5,7,9,15-tetrasiladispiro[4.3.49.35]hexadeca-1,3,10,12-tetraene with MolForge

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Related Compounds

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CID 122382059
1-methyl-1-[2-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)ethyl]-2,3,4,5-tetraphenylsilole
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1-chloro-1-methyl-2,3,4,5-tetraphenylsilole
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1,1,2,3-tetramethyl-4,5-diphenylsilole
CID 15329320
4-[5-(4-aminophenyl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]aniline
CID 170897442
1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole
CID 14661892
1-ethyl-1-methoxy-2,3,4,5-tetraphenylsilole
CID 13180868
ethyl-[(1-ethyl-2,3,4,5-tetraphenylsilol-1-yl)methyl]-dimethylsilane
CID 54515574
2,2,4,4,6,6,8,8-octakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 139055820

Frequently Asked Questions

What is the IUPAC name of 7,15-dimethyl-1,2,3,4,7,10,11,12,13,15-decakis-phenyl-6,8,14,16-tetraoxa-5,7,9,15-tetrasiladispiro[4.3.49.35]hexadeca-1,3,10,12-tetraene?
The IUPAC name of 7,15-dimethyl-1,2,3,4,7,10,11,12,13,15-decakis-phenyl-6,8,14,16-tetraoxa-5,7,9,15-tetrasiladispiro[4.3.49.35]hexadeca-1,3,10,12-tetraene (CID 122232420) is 7,15-dimethyl-1,2,3,4,7,10,11,12,13,15-decakis-phenyl-6,8,14,16-tetraoxa-5,7,9,15-tetrasiladispiro[4.3.49.35]hexadeca-1,3,10,12-tetraene.
What is the SMILES notation for 7,15-dimethyl-1,2,3,4,7,10,11,12,13,15-decakis-phenyl-6,8,14,16-tetraoxa-5,7,9,15-tetrasiladispiro[4.3.49.35]hexadeca-1,3,10,12-tetraene?
The canonical SMILES for 7,15-dimethyl-1,2,3,4,7,10,11,12,13,15-decakis-phenyl-6,8,14,16-tetraoxa-5,7,9,15-tetrasiladispiro[4.3.49.35]hexadeca-1,3,10,12-tetraene is C[Si@]1(c2ccccc2)O[Si]2(O[Si@](C)(c3ccccc3)O[Si]3(O1)C(c1ccccc1)=C(c1ccccc1)C(c1ccccc1)=C3c1ccccc1)C(c1ccccc1)=C(c1ccccc1)C(c1ccccc1)=C2c1ccccc1.
What is the InChIKey of 7,15-dimethyl-1,2,3,4,7,10,11,12,13,15-decakis-phenyl-6,8,14,16-tetraoxa-5,7,9,15-tetrasiladispiro[4.3.49.35]hexadeca-1,3,10,12-tetraene?
The InChIKey is BVCMIZJUXMEYFU-YEZLLYRCSA-N. The full InChI is InChI=1S/C70H56O4Si4/c1-75(61-49-29-11-30-50-61)71-77(67(57-41-21-7-22-42-57)63(53-33-13-3-14-34-53)64(54-35-15-4-16-36-54)68(77)58-43-23-8-24-44-58)73-76(2,62-51-31-12-32-52-62)74-78(72-75)69(59-45-25-9-26-46-59)65(55-37-17-5-18-38-55)66(56-39-19-6-20-40-56)70(78)60-47-27-10-28-48-60/h3-52H,1-2H3/t75-,76-.
What are the key properties of 7,15-dimethyl-1,2,3,4,7,10,11,12,13,15-decakis-phenyl-6,8,14,16-tetraoxa-5,7,9,15-tetrasiladispiro[4.3.49.35]hexadeca-1,3,10,12-tetraene?
7,15-dimethyl-1,2,3,4,7,10,11,12,13,15-decakis-phenyl-6,8,14,16-tetraoxa-5,7,9,15-tetrasiladispiro[4.3.49.35]hexadeca-1,3,10,12-tetraene has a molecular weight of 1073.56 g/mol, XLogP of 15.54, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,15-dimethyl-1,2,3,4,7,10,11,12,13,15-decakis-phenyl-6,8,14,16-tetraoxa-5,7,9,15-tetrasiladispiro[4.3.49.35]hexadeca-1,3,10,12-tetraene is sourced from PubChem (CID 122232420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).