26,29-dibromo-1,13-bis(ethenyl)-4,4,7,7,10,10,16,16,19,19,22,22-dodecamethyl-1,4,7,10,13,16,19,22-octasilatricyclo[11.11.4.225,28]triaconta-25(30),26,28-triene

C38H76Br2Si8 — CID 102215641

IUPAC26,29-dibromo-1,13-bis(ethenyl)-4,4,7,7,10,10,16,16,19,19,22,22-dodecamethyl-1,4,7,10,13,16,19,22-octasilatricyclo[11.11.4.225,28]triaconta-25(30),26,28-triene
SMILESC=C[Si]12CC[Si](C)(C)CC[Si](C)(C)CC[Si](C)(C)CC[Si](C=C)(CC[Si](C)(C)CC[Si](C)(C)CC[Si](C)(C)CC1)c1cc(Br)c2cc1Br
InChIInChI=1S/C38H76Br2Si8/c1-15-47-29-25-43(7,8)21-17-41(3,4)19-23-45(11,12)27-31-48(16-2,38-34-35(39)37(47)33-36(38)40)32-28-46(13,14)24-20-42(5,6)18-22-44(9,10)26-30-47/h15-16,33-34H,1-2,17-32H2,3-14H3
InChIKeyAIDILNCJEQTNAJ-UHFFFAOYSA-N
MW917.52 g/mol
LogP14.25
Rot. Bonds2

About 26,29-dibromo-1,13-bis(ethenyl)-4,4,7,7,10,10,16,16,19,19,22,22-dodecamethyl-1,4,7,10,13,16,19,22-octasilatricyclo[11.11.4.225,28]triaconta-25(30),26,28-triene

26,29-dibromo-1,13-bis(ethenyl)-4,4,7,7,10,10,16,16,19,19,22,22-dodecamethyl-1,4,7,10,13,16,19,22-octasilatricyclo[11.11.4.225,28]triaconta-25(30),26,28-triene (PubChem CID 102215641) has the molecular formula C38H76Br2Si8 and a molecular weight of 917.52 g/mol. Its IUPAC name is 26,29-dibromo-1,13-bis(ethenyl)-4,4,7,7,10,10,16,16,19,19,22,22-dodecamethyl-1,4,7,10,13,16,19,22-octasilatricyclo[11.11.4.225,28]triaconta-25(30),26,28-triene.

Molecular Properties

Compound Name26,29-dibromo-1,13-bis(ethenyl)-4,4,7,7,10,10,16,16,19,19,22,22-dodecamethyl-1,4,7,10,13,16,19,22-octasilatricyclo[11.11.4.225,28]triaconta-25(30),26,28-triene
PubChem CID102215641
Molecular FormulaC38H76Br2Si8
Molecular Weight917.52 g/mol
Exact Mass914.25
IUPAC Name26,29-dibromo-1,13-bis(ethenyl)-4,4,7,7,10,10,16,16,19,19,22,22-dodecamethyl-1,4,7,10,13,16,19,22-octasilatricyclo[11.11.4.225,28]triaconta-25(30),26,28-triene
SMILESC=C[Si]12CC[Si](C)(C)CC[Si](C)(C)CC[Si](C)(C)CC[Si](C=C)(CC[Si](C)(C)CC[Si](C)(C)CC[Si](C)(C)CC1)c1cc(Br)c2cc1Br
InChIInChI=1S/C38H76Br2Si8/c1-15-47-29-25-43(7,8)21-17-41(3,4)19-23-45(11,12)27-31-48(16-2,38-34-35(39)37(47)33-36(38)40)32-28-46(13,14)24-20-42(5,6)18-22-44(9,10)26-30-47/h15-16,33-34H,1-2,17-32H2,3-14H3
InChIKeyAIDILNCJEQTNAJ-UHFFFAOYSA-N
XLogP14.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.52
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 26,29-dibromo-1,13-bis(ethenyl)-4,4,7,7,10,10,16,16,19,19,22,22-dodecamethyl-1,4,7,10,13,16,19,22-octasilatricyclo[11.11.4.225,28]triaconta-25(30),26,28-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 26,29-dibromo-1,13-bis(ethenyl)-4,4,7,7,10,10,16,16,19,19,22,22-dodecamethyl-1,4,7,10,13,16,19,22-octasilatricyclo[11.11.4.225,28]triaconta-25(30),26,28-triene?
The IUPAC name of 26,29-dibromo-1,13-bis(ethenyl)-4,4,7,7,10,10,16,16,19,19,22,22-dodecamethyl-1,4,7,10,13,16,19,22-octasilatricyclo[11.11.4.225,28]triaconta-25(30),26,28-triene (CID 102215641) is 26,29-dibromo-1,13-bis(ethenyl)-4,4,7,7,10,10,16,16,19,19,22,22-dodecamethyl-1,4,7,10,13,16,19,22-octasilatricyclo[11.11.4.225,28]triaconta-25(30),26,28-triene.
What is the SMILES notation for 26,29-dibromo-1,13-bis(ethenyl)-4,4,7,7,10,10,16,16,19,19,22,22-dodecamethyl-1,4,7,10,13,16,19,22-octasilatricyclo[11.11.4.225,28]triaconta-25(30),26,28-triene?
The canonical SMILES for 26,29-dibromo-1,13-bis(ethenyl)-4,4,7,7,10,10,16,16,19,19,22,22-dodecamethyl-1,4,7,10,13,16,19,22-octasilatricyclo[11.11.4.225,28]triaconta-25(30),26,28-triene is C=C[Si]12CC[Si](C)(C)CC[Si](C)(C)CC[Si](C)(C)CC[Si](C=C)(CC[Si](C)(C)CC[Si](C)(C)CC[Si](C)(C)CC1)c1cc(Br)c2cc1Br.
What is the InChIKey of 26,29-dibromo-1,13-bis(ethenyl)-4,4,7,7,10,10,16,16,19,19,22,22-dodecamethyl-1,4,7,10,13,16,19,22-octasilatricyclo[11.11.4.225,28]triaconta-25(30),26,28-triene?
The InChIKey is AIDILNCJEQTNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H76Br2Si8/c1-15-47-29-25-43(7,8)21-17-41(3,4)19-23-45(11,12)27-31-48(16-2,38-34-35(39)37(47)33-36(38)40)32-28-46(13,14)24-20-42(5,6)18-22-44(9,10)26-30-47/h15-16,33-34H,1-2,17-32H2,3-14H3.
What are the key properties of 26,29-dibromo-1,13-bis(ethenyl)-4,4,7,7,10,10,16,16,19,19,22,22-dodecamethyl-1,4,7,10,13,16,19,22-octasilatricyclo[11.11.4.225,28]triaconta-25(30),26,28-triene?
26,29-dibromo-1,13-bis(ethenyl)-4,4,7,7,10,10,16,16,19,19,22,22-dodecamethyl-1,4,7,10,13,16,19,22-octasilatricyclo[11.11.4.225,28]triaconta-25(30),26,28-triene has a molecular weight of 917.52 g/mol, XLogP of 14.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 26,29-dibromo-1,13-bis(ethenyl)-4,4,7,7,10,10,16,16,19,19,22,22-dodecamethyl-1,4,7,10,13,16,19,22-octasilatricyclo[11.11.4.225,28]triaconta-25(30),26,28-triene is sourced from PubChem (CID 102215641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).