CID 87933524

C30H27Si — CID 87933524

IUPAC—
SMILESCC1=Cc2ccc3ccccc3c2C1[Si](C)C1C(C)=C(C)c2ccc3ccccc3c21
InChIInChI=1S/C30H27Si/c1-18-17-23-14-13-21-9-5-7-11-25(21)27(23)29(18)31(4)30-20(3)19(2)24-16-15-22-10-6-8-12-26(22)28(24)30/h5-17,29-30H,1-4H3
InChIKeyWQQKHUVYGJYMDO-UHFFFAOYSA-N
MW415.63 g/mol
LogP8.29
Rot. Bonds2

About CID 87933524

CID 87933524 (PubChem CID 87933524) has the molecular formula C30H27Si and a molecular weight of 415.63 g/mol.

Molecular Properties

Compound NameCID 87933524
PubChem CID87933524
Molecular FormulaC30H27Si
Molecular Weight415.63 g/mol
Exact Mass415.19
IUPAC Name—
SMILESCC1=Cc2ccc3ccccc3c2C1[Si](C)C1C(C)=C(C)c2ccc3ccccc3c21
InChIInChI=1S/C30H27Si/c1-18-17-23-14-13-21-9-5-7-11-25(21)27(23)29(18)31(4)30-20(3)19(2)24-16-15-22-10-6-8-12-26(22)28(24)30/h5-17,29-30H,1-4H3
InChIKeyWQQKHUVYGJYMDO-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.63
LogP ≤ 58.29
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 87933524?
The IUPAC name of CID 87933524 (CID 87933524) is not available.
What is the SMILES notation for CID 87933524?
The canonical SMILES for CID 87933524 is CC1=Cc2ccc3ccccc3c2C1[Si](C)C1C(C)=C(C)c2ccc3ccccc3c21.
What is the InChIKey of CID 87933524?
The InChIKey is WQQKHUVYGJYMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27Si/c1-18-17-23-14-13-21-9-5-7-11-25(21)27(23)29(18)31(4)30-20(3)19(2)24-16-15-22-10-6-8-12-26(22)28(24)30/h5-17,29-30H,1-4H3.
What are the key properties of CID 87933524?
CID 87933524 has a molecular weight of 415.63 g/mol, XLogP of 8.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87933524 is sourced from PubChem (CID 87933524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).