dimethyl-phenyl-[11,17,23-tris[dimethyl(phenyl)silyl]-25,26,27,28-tetrakis(phenylmethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]silane

C88H88O4Si4 — CID 102517614

IUPACdimethyl-phenyl-[11,17,23-tris[dimethyl(phenyl)silyl]-25,26,27,28-tetrakis(phenylmethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]silane
SMILESC[Si](C)(c1ccccc1)c1cc2c(OCc3ccccc3)c(c1)Cc1cc([Si](C)(C)c3ccccc3)cc(c1OCc1ccccc1)Cc1cc([Si](C)(C)c3ccccc3)cc(c1OCc1ccccc1)Cc1cc([Si](C)(C)c3ccccc3)cc(c1OCc1ccccc1)C2
InChIInChI=1S/C88H88O4Si4/c1-93(2,77-41-25-13-26-42-77)81-53-69-49-71-55-82(94(3,4)78-43-27-14-28-44-78)57-73(86(71)90-62-66-35-19-10-20-36-66)51-75-59-84(96(7,8)80-47-31-16-32-48-80)60-76(88(75)92-64-68-39-23-12-24-40-68)52-74-58-83(95(5,6)79-45-29-15-30-46-79)56-72(87(74)91-63-67-37-21-11-22-38-67)50-70(54-81)85(69)89-61-65-33-17-9-18-34-65/h9-48,53-60H,49-52,61-64H2,1-8H3
InChIKeyVLURLLMWFGOJPM-UHFFFAOYSA-N
MW1322.01 g/mol
LogP15.97
Rot. Bonds20

About dimethyl-phenyl-[11,17,23-tris[dimethyl(phenyl)silyl]-25,26,27,28-tetrakis(phenylmethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]silane

dimethyl-phenyl-[11,17,23-tris[dimethyl(phenyl)silyl]-25,26,27,28-tetrakis(phenylmethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]silane (PubChem CID 102517614) has the molecular formula C88H88O4Si4 and a molecular weight of 1322.01 g/mol. Its IUPAC name is dimethyl-phenyl-[11,17,23-tris[dimethyl(phenyl)silyl]-25,26,27,28-tetrakis(phenylmethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]silane.

Molecular Properties

Compound Namedimethyl-phenyl-[11,17,23-tris[dimethyl(phenyl)silyl]-25,26,27,28-tetrakis(phenylmethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]silane
PubChem CID102517614
Molecular FormulaC88H88O4Si4
Molecular Weight1322.01 g/mol
Exact Mass1320.58
IUPAC Namedimethyl-phenyl-[11,17,23-tris[dimethyl(phenyl)silyl]-25,26,27,28-tetrakis(phenylmethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]silane
SMILESC[Si](C)(c1ccccc1)c1cc2c(OCc3ccccc3)c(c1)Cc1cc([Si](C)(C)c3ccccc3)cc(c1OCc1ccccc1)Cc1cc([Si](C)(C)c3ccccc3)cc(c1OCc1ccccc1)Cc1cc([Si](C)(C)c3ccccc3)cc(c1OCc1ccccc1)C2
InChIInChI=1S/C88H88O4Si4/c1-93(2,77-41-25-13-26-42-77)81-53-69-49-71-55-82(94(3,4)78-43-27-14-28-44-78)57-73(86(71)90-62-66-35-19-10-20-36-66)51-75-59-84(96(7,8)80-47-31-16-32-48-80)60-76(88(75)92-64-68-39-23-12-24-40-68)52-74-58-83(95(5,6)79-45-29-15-30-46-79)56-72(87(74)91-63-67-37-21-11-22-38-67)50-70(54-81)85(69)89-61-65-33-17-9-18-34-65/h9-48,53-60H,49-52,61-64H2,1-8H3
InChIKeyVLURLLMWFGOJPM-UHFFFAOYSA-N
XLogP15.97
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001322.01
LogP ≤ 515.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dimethyl-phenyl-[11,17,23-tris[dimethyl(phenyl)silyl]-25,26,27,28-tetrakis(phenylmethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]silane with MolForge

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Related Compounds

5,11,17,23-tetratert-butyl-27,28-bis(phenylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,26-diol
CID 11388780
2-[[5,11,17,23-tetratert-butyl-26-phenylmethoxy-27,28-bis(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxymethyl]pyridine
CID 10351040
5,11,17,23,29,35,41,47-octakis(phenylmethoxy)-49,50,51,52,53,54,55,56-octakis(prop-2-ynoxy)nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene
CID 171366235
5,11-dibromo-25,26-bis(phenylmethoxy)-27,28-dipropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene
CID 10963953
11,23-diamino-5,17-ditert-butyl-26,28-bis(phenylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol
CID 101407138
5,13,19,27-tetratert-butyl-31,32-bis(phenylmethoxy)pentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene-29,30-diol
CID 10605702
5,13,19,27-tetratert-butyl-30,32-bis(phenylmethoxy)pentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene-29,31-diol
CID 10771984
[17-[dimethyl(2-phenylethyl)silyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-dimethyl-(2-phenylethyl)silane
CID 102174225
methyl-tris(4-phenylmethoxyphenyl)silane
CID 90283739
49,50,51-tris(phenylmethoxy)-25,28,31,34,37,40-hexaoxaheptacyclo[21.18.7.17,11.113,17.143,47.05,41.019,24]henpentaconta-1(41),2,4,7(51),8,10,13,15,17(50),19,21,23,43(49),44,46-pentadecaene
CID 10898374
43,44-bis(phenylmethoxy)-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1(35),2(32),19(24),20,22,26,28,30(44),33,37(43),38,40-dodecaene
CID 102167065
5,11,17,23-tetratert-butyl-25,26,27,28-tetrakis[(4-tert-butylphenyl)methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
CID 15102923

Frequently Asked Questions

What is the IUPAC name of dimethyl-phenyl-[11,17,23-tris[dimethyl(phenyl)silyl]-25,26,27,28-tetrakis(phenylmethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]silane?
The IUPAC name of dimethyl-phenyl-[11,17,23-tris[dimethyl(phenyl)silyl]-25,26,27,28-tetrakis(phenylmethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]silane (CID 102517614) is dimethyl-phenyl-[11,17,23-tris[dimethyl(phenyl)silyl]-25,26,27,28-tetrakis(phenylmethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]silane.
What is the SMILES notation for dimethyl-phenyl-[11,17,23-tris[dimethyl(phenyl)silyl]-25,26,27,28-tetrakis(phenylmethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]silane?
The canonical SMILES for dimethyl-phenyl-[11,17,23-tris[dimethyl(phenyl)silyl]-25,26,27,28-tetrakis(phenylmethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]silane is C[Si](C)(c1ccccc1)c1cc2c(OCc3ccccc3)c(c1)Cc1cc([Si](C)(C)c3ccccc3)cc(c1OCc1ccccc1)Cc1cc([Si](C)(C)c3ccccc3)cc(c1OCc1ccccc1)Cc1cc([Si](C)(C)c3ccccc3)cc(c1OCc1ccccc1)C2.
What is the InChIKey of dimethyl-phenyl-[11,17,23-tris[dimethyl(phenyl)silyl]-25,26,27,28-tetrakis(phenylmethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]silane?
The InChIKey is VLURLLMWFGOJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H88O4Si4/c1-93(2,77-41-25-13-26-42-77)81-53-69-49-71-55-82(94(3,4)78-43-27-14-28-44-78)57-73(86(71)90-62-66-35-19-10-20-36-66)51-75-59-84(96(7,8)80-47-31-16-32-48-80)60-76(88(75)92-64-68-39-23-12-24-40-68)52-74-58-83(95(5,6)79-45-29-15-30-46-79)56-72(87(74)91-63-67-37-21-11-22-38-67)50-70(54-81)85(69)89-61-65-33-17-9-18-34-65/h9-48,53-60H,49-52,61-64H2,1-8H3.
What are the key properties of dimethyl-phenyl-[11,17,23-tris[dimethyl(phenyl)silyl]-25,26,27,28-tetrakis(phenylmethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]silane?
dimethyl-phenyl-[11,17,23-tris[dimethyl(phenyl)silyl]-25,26,27,28-tetrakis(phenylmethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]silane has a molecular weight of 1322.01 g/mol, XLogP of 15.97, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-phenyl-[11,17,23-tris[dimethyl(phenyl)silyl]-25,26,27,28-tetrakis(phenylmethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]silane is sourced from PubChem (CID 102517614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).