CID 134904137

C33H64BS2Si6Sn — CID 134904137

IUPAC—
SMILESC[Si](C)(C)C(c1cc(C([Si](C)(C)C)[Si](C)(C)C)c(B2S[Sn](c3ccccc3)S2)c(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C
InChIInChI=1S/C27H59BS2Si6.C6H5.Sn/c1-31(2,3)25(32(4,5)6)21-19-22(26(33(7,8)9)34(10,11)12)24(28(29)30)23(20-21)27(35(13,14)15)36(16,17)18;1-2-4-6-5-3-1;/h19-20,25-27H,1-18H3;1-5H;/q-2;;+2
InChIKeyDQKZYYSYBUDETF-UHFFFAOYSA-N
MW823.05 g/mol
LogP10.77
Rot. Bonds11

About CID 134904137

CID 134904137 (PubChem CID 134904137) has the molecular formula C33H64BS2Si6Sn and a molecular weight of 823.05 g/mol.

Molecular Properties

Compound NameCID 134904137
PubChem CID134904137
Molecular FormulaC33H64BS2Si6Sn
Molecular Weight823.05 g/mol
Exact Mass823.22
IUPAC Name—
SMILESC[Si](C)(C)C(c1cc(C([Si](C)(C)C)[Si](C)(C)C)c(B2S[Sn](c3ccccc3)S2)c(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C
InChIInChI=1S/C27H59BS2Si6.C6H5.Sn/c1-31(2,3)25(32(4,5)6)21-19-22(26(33(7,8)9)34(10,11)12)24(28(29)30)23(20-21)27(35(13,14)15)36(16,17)18;1-2-4-6-5-3-1;/h19-20,25-27H,1-18H3;1-5H;/q-2;;+2
InChIKeyDQKZYYSYBUDETF-UHFFFAOYSA-N
XLogP10.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.05
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134904137?
The IUPAC name of CID 134904137 (CID 134904137) is not available.
What is the SMILES notation for CID 134904137?
The canonical SMILES for CID 134904137 is C[Si](C)(C)C(c1cc(C([Si](C)(C)C)[Si](C)(C)C)c(B2S[Sn](c3ccccc3)S2)c(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C.
What is the InChIKey of CID 134904137?
The InChIKey is DQKZYYSYBUDETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H59BS2Si6.C6H5.Sn/c1-31(2,3)25(32(4,5)6)21-19-22(26(33(7,8)9)34(10,11)12)24(28(29)30)23(20-21)27(35(13,14)15)36(16,17)18;1-2-4-6-5-3-1;/h19-20,25-27H,1-18H3;1-5H;/q-2;;+2.
What are the key properties of CID 134904137?
CID 134904137 has a molecular weight of 823.05 g/mol, XLogP of 10.77, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134904137 is sourced from PubChem (CID 134904137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).