[8,15,16,23,24,31,32-heptakis[tri(propan-2-yl)silyl]-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-tri(propan-2-yl)silane

C104H168Si8 — CID 101023058

IUPAC[8,15,16,23,24,31,32-heptakis[tri(propan-2-yl)silyl]-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C1=C([Si](C(C)C)(C(C)C)C(C)C)C2=C=C=C=C=C3C(=C=C=C=C=C4C(=C=C=C=C=C5C(=C=C=C=C=C21)C([Si](C(C)C)(C(C)C)C(C)C)=C5[Si](C(C)C)(C(C)C)C(C)C)C([Si](C(C)C)(C(C)C)C(C)C)=C4[Si](C(C)C)(C(C)C)C(C)C)C([Si](C(C)C)(C(C)C)C(C)C)=C3[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C104H168Si8/c1-65(2)105(66(3)4,67(5)6)97-89-57-49-50-59-91-93(101(109(77(25)26,78(27)28)79(29)30)99(91)107(71(13)14,72(15)16)73(17)18)61-53-54-63-95-96(104(112(86(43)44,87(45)46)88(47)48)103(95)111(83(37)38,84(39)40)85(41)42)64-56-55-62-94-92(60-52-51-58-90(89)98(97)106(68(7)8,69(9)10)70(11)12)100(108(74(19)20,75(21)22)76(23)24)102(94)110(80(31)32,81(33)34)82(35)36/h65-88H,1-48H3
InChIKeyPUVPAWKFUCTYKQ-UHFFFAOYSA-N
MW1643.18 g/mol
LogP34.65
Rot. Bonds32

About [8,15,16,23,24,31,32-heptakis[tri(propan-2-yl)silyl]-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-tri(propan-2-yl)silane

[8,15,16,23,24,31,32-heptakis[tri(propan-2-yl)silyl]-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-tri(propan-2-yl)silane (PubChem CID 101023058) has the molecular formula C104H168Si8 and a molecular weight of 1643.18 g/mol. Its IUPAC name is [8,15,16,23,24,31,32-heptakis[tri(propan-2-yl)silyl]-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[8,15,16,23,24,31,32-heptakis[tri(propan-2-yl)silyl]-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-tri(propan-2-yl)silane
PubChem CID101023058
Molecular FormulaC104H168Si8
Molecular Weight1643.18 g/mol
Exact Mass1641.13
IUPAC Name[8,15,16,23,24,31,32-heptakis[tri(propan-2-yl)silyl]-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C1=C([Si](C(C)C)(C(C)C)C(C)C)C2=C=C=C=C=C3C(=C=C=C=C=C4C(=C=C=C=C=C5C(=C=C=C=C=C21)C([Si](C(C)C)(C(C)C)C(C)C)=C5[Si](C(C)C)(C(C)C)C(C)C)C([Si](C(C)C)(C(C)C)C(C)C)=C4[Si](C(C)C)(C(C)C)C(C)C)C([Si](C(C)C)(C(C)C)C(C)C)=C3[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C104H168Si8/c1-65(2)105(66(3)4,67(5)6)97-89-57-49-50-59-91-93(101(109(77(25)26,78(27)28)79(29)30)99(91)107(71(13)14,72(15)16)73(17)18)61-53-54-63-95-96(104(112(86(43)44,87(45)46)88(47)48)103(95)111(83(37)38,84(39)40)85(41)42)64-56-55-62-94-92(60-52-51-58-90(89)98(97)106(68(7)8,69(9)10)70(11)12)100(108(74(19)20,75(21)22)76(23)24)102(94)110(80(31)32,81(33)34)82(35)36/h65-88H,1-48H3
InChIKeyPUVPAWKFUCTYKQ-UHFFFAOYSA-N
XLogP34.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds32
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001643.18
LogP ≤ 534.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [8,15,16,23,24,31,32-heptakis[tri(propan-2-yl)silyl]-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-tri(propan-2-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [8,15,16,23,24,31,32-heptakis[tri(propan-2-yl)silyl]-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-tri(propan-2-yl)silane?
The IUPAC name of [8,15,16,23,24,31,32-heptakis[tri(propan-2-yl)silyl]-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-tri(propan-2-yl)silane (CID 101023058) is [8,15,16,23,24,31,32-heptakis[tri(propan-2-yl)silyl]-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [8,15,16,23,24,31,32-heptakis[tri(propan-2-yl)silyl]-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-tri(propan-2-yl)silane?
The canonical SMILES for [8,15,16,23,24,31,32-heptakis[tri(propan-2-yl)silyl]-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-tri(propan-2-yl)silane is CC(C)[Si](C1=C([Si](C(C)C)(C(C)C)C(C)C)C2=C=C=C=C=C3C(=C=C=C=C=C4C(=C=C=C=C=C5C(=C=C=C=C=C21)C([Si](C(C)C)(C(C)C)C(C)C)=C5[Si](C(C)C)(C(C)C)C(C)C)C([Si](C(C)C)(C(C)C)C(C)C)=C4[Si](C(C)C)(C(C)C)C(C)C)C([Si](C(C)C)(C(C)C)C(C)C)=C3[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [8,15,16,23,24,31,32-heptakis[tri(propan-2-yl)silyl]-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-tri(propan-2-yl)silane?
The InChIKey is PUVPAWKFUCTYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H168Si8/c1-65(2)105(66(3)4,67(5)6)97-89-57-49-50-59-91-93(101(109(77(25)26,78(27)28)79(29)30)99(91)107(71(13)14,72(15)16)73(17)18)61-53-54-63-95-96(104(112(86(43)44,87(45)46)88(47)48)103(95)111(83(37)38,84(39)40)85(41)42)64-56-55-62-94-92(60-52-51-58-90(89)98(97)106(68(7)8,69(9)10)70(11)12)100(108(74(19)20,75(21)22)76(23)24)102(94)110(80(31)32,81(33)34)82(35)36/h65-88H,1-48H3.
What are the key properties of [8,15,16,23,24,31,32-heptakis[tri(propan-2-yl)silyl]-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-tri(propan-2-yl)silane?
[8,15,16,23,24,31,32-heptakis[tri(propan-2-yl)silyl]-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-tri(propan-2-yl)silane has a molecular weight of 1643.18 g/mol, XLogP of 34.65, 32 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [8,15,16,23,24,31,32-heptakis[tri(propan-2-yl)silyl]-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 101023058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).