CID 135049236

C39H76Se4Si6Sn — CID 135049236

IUPAC—
SMILESCC(C)c1ccc([Sn]c2c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc2C([Si](C)(C)C)[Si](C)(C)C)c(C(C)C)c1.[Se][Se][Se][Se]
InChIInChI=1S/C27H59Si6.C12H17.Se4.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;1-9(2)11-6-5-7-12(8-11)10(3)4;1-3-4-2;/h19-20,25-27H,1-18H3;5-6,8-10H,1-4H3;;
InChIKeyHOXCGFJQYQQFTI-UHFFFAOYSA-N
MW1148.10 g/mol
LogP10.58
Rot. Bonds14

About CID 135049236

CID 135049236 (PubChem CID 135049236) has the molecular formula C39H76Se4Si6Sn and a molecular weight of 1148.10 g/mol.

Molecular Properties

Compound NameCID 135049236
PubChem CID135049236
Molecular FormulaC39H76Se4Si6Sn
Molecular Weight1148.10 g/mol
Exact Mass1152.02
IUPAC Name—
SMILESCC(C)c1ccc([Sn]c2c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc2C([Si](C)(C)C)[Si](C)(C)C)c(C(C)C)c1.[Se][Se][Se][Se]
InChIInChI=1S/C27H59Si6.C12H17.Se4.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;1-9(2)11-6-5-7-12(8-11)10(3)4;1-3-4-2;/h19-20,25-27H,1-18H3;5-6,8-10H,1-4H3;;
InChIKeyHOXCGFJQYQQFTI-UHFFFAOYSA-N
XLogP10.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001148.10
LogP ≤ 510.58
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

[[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4-di(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane
CID 135049235
[[3,5-bis[bis(trimethylsilyl)methyl]-2-[[2,6-di(propan-2-yl)phenyl]-tellanylidenegermyl]phenyl]-trimethylsilylmethyl]-trimethylsilane
CID 11468688
[[3,5-bis[bis(trimethylsilyl)methyl]-2-selanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane
CID 100928740
dideuterio-[2,6-di(propan-2-yl)phenyl]-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]silane
CID 100938802
2,4-di(propan-2-yl)phenol
CID 18048
[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]phosphane
CID 71415784
[[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4,6-tri(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane
CID 10996715
[[3,5-bis[bis(trimethylsilyl)methyl]-2-sulfanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane
CID 15335978
[2-cyano-3,3-bis(sulfanyl)prop-2-enyl]-[2,4,6-tri(propan-2-yl)phenyl]-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]stannanylium
CID 16717321
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
bis[2,5-di(propan-2-yl)phenyl]-bis(trimethylsilyl)silane
CID 166001708
2,6,8,12-tetra(propan-2-yl)chrysene
CID 164832540

Frequently Asked Questions

What is the IUPAC name of CID 135049236?
The IUPAC name of CID 135049236 (CID 135049236) is not available.
What is the SMILES notation for CID 135049236?
The canonical SMILES for CID 135049236 is CC(C)c1ccc([Sn]c2c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc2C([Si](C)(C)C)[Si](C)(C)C)c(C(C)C)c1.[Se][Se][Se][Se].
What is the InChIKey of CID 135049236?
The InChIKey is HOXCGFJQYQQFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H59Si6.C12H17.Se4.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;1-9(2)11-6-5-7-12(8-11)10(3)4;1-3-4-2;/h19-20,25-27H,1-18H3;5-6,8-10H,1-4H3;;.
What are the key properties of CID 135049236?
CID 135049236 has a molecular weight of 1148.10 g/mol, XLogP of 10.58, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135049236 is sourced from PubChem (CID 135049236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).