CID 136897725

C30H24O2Si4 — CID 136897725

IUPAC—
SMILESCC1(C)c2ccc3cc2Oc2c(cccc21)[Si][Si]c1cccc2c1Oc1cc(ccc1C2(C)C)[Si][Si]3
InChIInChI=1S/C30H24O2Si4/c1-29(2)19-13-11-17-15-23(19)31-27-21(29)7-5-9-25(27)35-36-26-10-6-8-22-28(26)32-24-16-18(34-33-17)12-14-20(24)30(22,3)4/h5-16H,1-4H3
InChIKeyFTBIIYBNCCVFEF-UHFFFAOYSA-N
MW528.86 g/mol
LogP3.41
Rot. Bonds

About CID 136897725

CID 136897725 (PubChem CID 136897725) has the molecular formula C30H24O2Si4 and a molecular weight of 528.86 g/mol.

Molecular Properties

Compound NameCID 136897725
PubChem CID136897725
Molecular FormulaC30H24O2Si4
Molecular Weight528.86 g/mol
Exact Mass528.09
IUPAC Name—
SMILESCC1(C)c2ccc3cc2Oc2c(cccc21)[Si][Si]c1cccc2c1Oc1cc(ccc1C2(C)C)[Si][Si]3
InChIInChI=1S/C30H24O2Si4/c1-29(2)19-13-11-17-15-23(19)31-27-21(29)7-5-9-25(27)35-36-26-10-6-8-22-28(26)32-24-16-18(34-33-17)12-14-20(24)30(22,3)4/h5-16H,1-4H3
InChIKeyFTBIIYBNCCVFEF-UHFFFAOYSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.86
LogP ≤ 53.41
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 136897725?
The IUPAC name of CID 136897725 (CID 136897725) is not available.
What is the SMILES notation for CID 136897725?
The canonical SMILES for CID 136897725 is CC1(C)c2ccc3cc2Oc2c(cccc21)[Si][Si]c1cccc2c1Oc1cc(ccc1C2(C)C)[Si][Si]3.
What is the InChIKey of CID 136897725?
The InChIKey is FTBIIYBNCCVFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O2Si4/c1-29(2)19-13-11-17-15-23(19)31-27-21(29)7-5-9-25(27)35-36-26-10-6-8-22-28(26)32-24-16-18(34-33-17)12-14-20(24)30(22,3)4/h5-16H,1-4H3.
What are the key properties of CID 136897725?
CID 136897725 has a molecular weight of 528.86 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136897725 is sourced from PubChem (CID 136897725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).