CID 173288935

C31H25Si — CID 173288935

IUPAC—
SMILESCC1=Cc2c(ccc3ccccc23)C1c1ccc2c3c1[Si](Cc1ccccc1)C3=C(C)C2
InChIInChI=1S/C31H25Si/c1-19-17-27-24-11-7-6-10-22(24)12-14-25(27)28(19)26-15-13-23-16-20(2)30-29(23)31(26)32(30)18-21-8-4-3-5-9-21/h3-15,17,28H,16,18H2,1-2H3
InChIKeyXZYWBCQATLQABJ-UHFFFAOYSA-N
MW425.63 g/mol
LogP6.75
Rot. Bonds3

About CID 173288935

CID 173288935 (PubChem CID 173288935) has the molecular formula C31H25Si and a molecular weight of 425.63 g/mol.

Molecular Properties

Compound NameCID 173288935
PubChem CID173288935
Molecular FormulaC31H25Si
Molecular Weight425.63 g/mol
Exact Mass425.17
IUPAC Name—
SMILESCC1=Cc2c(ccc3ccccc23)C1c1ccc2c3c1[Si](Cc1ccccc1)C3=C(C)C2
InChIInChI=1S/C31H25Si/c1-19-17-27-24-11-7-6-10-22(24)12-14-25(27)28(19)26-15-13-23-16-20(2)30-29(23)31(26)32(30)18-21-8-4-3-5-9-21/h3-15,17,28H,16,18H2,1-2H3
InChIKeyXZYWBCQATLQABJ-UHFFFAOYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.63
LogP ≤ 56.75
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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Frequently Asked Questions

What is the IUPAC name of CID 173288935?
The IUPAC name of CID 173288935 (CID 173288935) is not available.
What is the SMILES notation for CID 173288935?
The canonical SMILES for CID 173288935 is CC1=Cc2c(ccc3ccccc23)C1c1ccc2c3c1[Si](Cc1ccccc1)C3=C(C)C2.
What is the InChIKey of CID 173288935?
The InChIKey is XZYWBCQATLQABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25Si/c1-19-17-27-24-11-7-6-10-22(24)12-14-25(27)28(19)26-15-13-23-16-20(2)30-29(23)31(26)32(30)18-21-8-4-3-5-9-21/h3-15,17,28H,16,18H2,1-2H3.
What are the key properties of CID 173288935?
CID 173288935 has a molecular weight of 425.63 g/mol, XLogP of 6.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173288935 is sourced from PubChem (CID 173288935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).