CID 136679660

C34H28Si4 — CID 136679660

IUPAC—
SMILESCC(C)c1c2cccc3c2cc2c(cccc12)[Si][Si]c1cccc2c(C(C)C)c4cccc(c4cc12)[Si][Si]3
InChIInChI=1S/C34H28Si4/c1-19(2)33-21-9-5-13-29-25(21)17-26-22(33)10-6-14-30(26)36-38-32-16-8-12-24-28(32)18-27-23(34(24)20(3)4)11-7-15-31(27)37-35-29/h5-20H,1-4H3
InChIKeyDSRKGTNWMVMLEY-UHFFFAOYSA-N
MW548.94 g/mol
LogP5.41
Rot. Bonds2

About CID 136679660

CID 136679660 (PubChem CID 136679660) has the molecular formula C34H28Si4 and a molecular weight of 548.94 g/mol.

Molecular Properties

Compound NameCID 136679660
PubChem CID136679660
Molecular FormulaC34H28Si4
Molecular Weight548.94 g/mol
Exact Mass548.13
IUPAC Name—
SMILESCC(C)c1c2cccc3c2cc2c(cccc12)[Si][Si]c1cccc2c(C(C)C)c4cccc(c4cc12)[Si][Si]3
InChIInChI=1S/C34H28Si4/c1-19(2)33-21-9-5-13-29-25(21)17-26-22(33)10-6-14-30(26)36-38-32-16-8-12-24-28(32)18-27-23(34(24)20(3)4)11-7-15-31(27)37-35-29/h5-20H,1-4H3
InChIKeyDSRKGTNWMVMLEY-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.94
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 136679660?
The IUPAC name of CID 136679660 (CID 136679660) is not available.
What is the SMILES notation for CID 136679660?
The canonical SMILES for CID 136679660 is CC(C)c1c2cccc3c2cc2c(cccc12)[Si][Si]c1cccc2c(C(C)C)c4cccc(c4cc12)[Si][Si]3.
What is the InChIKey of CID 136679660?
The InChIKey is DSRKGTNWMVMLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28Si4/c1-19(2)33-21-9-5-13-29-25(21)17-26-22(33)10-6-14-30(26)36-38-32-16-8-12-24-28(32)18-27-23(34(24)20(3)4)11-7-15-31(27)37-35-29/h5-20H,1-4H3.
What are the key properties of CID 136679660?
CID 136679660 has a molecular weight of 548.94 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136679660 is sourced from PubChem (CID 136679660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).