CID 102094493

C51H84Se4Si6Sn — CID 102094493

IUPAC—
SMILESCC(C)c1ccccc1-c1[c]c(-c2ccccc2C(C)C)ccc1.C[Si](C)(C)C(c1[c]c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C.[Se-][Se][Se][Se-].[Sn+2]
InChIInChI=1S/C27H59Si6.C24H25.H2Se4.Sn/c1-28(2,3)25(29(4,5)6)22-19-23(26(30(7,8)9)31(10,11)12)21-24(20-22)27(32(13,14)15)33(16,17)18;1-17(2)21-12-5-7-14-23(21)19-10-9-11-20(16-19)24-15-8-6-13-22(24)18(3)4;1-3-4-2;/h19-20,25-27H,1-18H3;5-15,17-18H,1-4H3;1-2H;/q;;;+2/p-2
InChIKeyZPTBVUMQUSEYCG-UHFFFAOYSA-L
MW1300.30 g/mol
LogP15.17
Rot. Bonds14

About CID 102094493

CID 102094493 (PubChem CID 102094493) has the molecular formula C51H84Se4Si6Sn and a molecular weight of 1300.30 g/mol.

Molecular Properties

Compound NameCID 102094493
PubChem CID102094493
Molecular FormulaC51H84Se4Si6Sn
Molecular Weight1300.30 g/mol
Exact Mass1304.09
IUPAC Name—
SMILESCC(C)c1ccccc1-c1[c]c(-c2ccccc2C(C)C)ccc1.C[Si](C)(C)C(c1[c]c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C.[Se-][Se][Se][Se-].[Sn+2]
InChIInChI=1S/C27H59Si6.C24H25.H2Se4.Sn/c1-28(2,3)25(29(4,5)6)22-19-23(26(30(7,8)9)31(10,11)12)21-24(20-22)27(32(13,14)15)33(16,17)18;1-17(2)21-12-5-7-14-23(21)19-10-9-11-20(16-19)24-15-8-6-13-22(24)18(3)4;1-3-4-2;/h19-20,25-27H,1-18H3;5-15,17-18H,1-4H3;1-2H;/q;;;+2/p-2
InChIKeyZPTBVUMQUSEYCG-UHFFFAOYSA-L
XLogP15.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001300.30
LogP ≤ 515.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 102094492
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dideuterio-[2,6-di(propan-2-yl)phenyl]-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]silane
CID 100938802
[[3,5-bis[bis(trimethylsilyl)methyl]-2-[8-[2,6-di(propan-2-yl)phenyl]-7-thia-8-germabicyclo[4.2.0]octa-1,3,5-trien-8-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane
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CID 90072599
N-methyl-3-(2-propan-2-ylphenyl)benzamide
CID 142590167
[[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]disulfanyl]phenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane
CID 11528311
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Frequently Asked Questions

What is the IUPAC name of CID 102094493?
The IUPAC name of CID 102094493 (CID 102094493) is not available.
What is the SMILES notation for CID 102094493?
The canonical SMILES for CID 102094493 is CC(C)c1ccccc1-c1[c]c(-c2ccccc2C(C)C)ccc1.C[Si](C)(C)C(c1[c]c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C.[Se-][Se][Se][Se-].[Sn+2].
What is the InChIKey of CID 102094493?
The InChIKey is ZPTBVUMQUSEYCG-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H59Si6.C24H25.H2Se4.Sn/c1-28(2,3)25(29(4,5)6)22-19-23(26(30(7,8)9)31(10,11)12)21-24(20-22)27(32(13,14)15)33(16,17)18;1-17(2)21-12-5-7-14-23(21)19-10-9-11-20(16-19)24-15-8-6-13-22(24)18(3)4;1-3-4-2;/h19-20,25-27H,1-18H3;5-15,17-18H,1-4H3;1-2H;/q;;;+2/p-2.
What are the key properties of CID 102094493?
CID 102094493 has a molecular weight of 1300.30 g/mol, XLogP of 15.17, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102094493 is sourced from PubChem (CID 102094493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).