CID 153316897

C41H45Si — CID 153316897

IUPAC—
SMILESCc1cc(C(C)(C)C)ccc1C1=Cc2ccccc2C1[Si](C)C1C(c2ccc(C(C)(C)C)cc2C)=Cc2ccccc21
InChIInChI=1S/C41H45Si/c1-26-22-30(40(3,4)5)18-20-32(26)36-24-28-14-10-12-16-34(28)38(36)42(9)39-35-17-13-11-15-29(35)25-37(39)33-21-19-31(23-27(33)2)41(6,7)8/h10-25,38-39H,1-9H3
InChIKeyMIXPLCSBBSREAC-UHFFFAOYSA-N
MW565.90 g/mol
LogP11.08
Rot. Bonds4

About CID 153316897

CID 153316897 (PubChem CID 153316897) has the molecular formula C41H45Si and a molecular weight of 565.90 g/mol.

Molecular Properties

Compound NameCID 153316897
PubChem CID153316897
Molecular FormulaC41H45Si
Molecular Weight565.90 g/mol
Exact Mass565.33
IUPAC Name—
SMILESCc1cc(C(C)(C)C)ccc1C1=Cc2ccccc2C1[Si](C)C1C(c2ccc(C(C)(C)C)cc2C)=Cc2ccccc21
InChIInChI=1S/C41H45Si/c1-26-22-30(40(3,4)5)18-20-32(26)36-24-28-14-10-12-16-34(28)38(36)42(9)39-35-17-13-11-15-29(35)25-37(39)33-21-19-31(23-27(33)2)41(6,7)8/h10-25,38-39H,1-9H3
InChIKeyMIXPLCSBBSREAC-UHFFFAOYSA-N
XLogP11.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.90
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 153316897?
The IUPAC name of CID 153316897 (CID 153316897) is not available.
What is the SMILES notation for CID 153316897?
The canonical SMILES for CID 153316897 is Cc1cc(C(C)(C)C)ccc1C1=Cc2ccccc2C1[Si](C)C1C(c2ccc(C(C)(C)C)cc2C)=Cc2ccccc21.
What is the InChIKey of CID 153316897?
The InChIKey is MIXPLCSBBSREAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H45Si/c1-26-22-30(40(3,4)5)18-20-32(26)36-24-28-14-10-12-16-34(28)38(36)42(9)39-35-17-13-11-15-29(35)25-37(39)33-21-19-31(23-27(33)2)41(6,7)8/h10-25,38-39H,1-9H3.
What are the key properties of CID 153316897?
CID 153316897 has a molecular weight of 565.90 g/mol, XLogP of 11.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153316897 is sourced from PubChem (CID 153316897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).