CID 23367412

C31H37F2Si — CID 23367412

IUPAC—
SMILESCC(C)CCC[Si]1CCC(CCc2ccc(-c3ccc(-c4ccc(F)c(F)c4)cc3)cc2)CC1
InChIInChI=1S/C31H37F2Si/c1-23(2)4-3-19-34-20-17-25(18-21-34)6-5-24-7-9-26(10-8-24)27-11-13-28(14-12-27)29-15-16-30(32)31(33)22-29/h7-16,22-23,25H,3-6,17-21H2,1-2H3
InChIKeyVZGQRVUTLDXADY-UHFFFAOYSA-N
MW475.72 g/mol
LogP9.57
Rot. Bonds9

About CID 23367412

CID 23367412 (PubChem CID 23367412) has the molecular formula C31H37F2Si and a molecular weight of 475.72 g/mol.

Molecular Properties

Compound NameCID 23367412
PubChem CID23367412
Molecular FormulaC31H37F2Si
Molecular Weight475.72 g/mol
Exact Mass475.26
IUPAC Name—
SMILESCC(C)CCC[Si]1CCC(CCc2ccc(-c3ccc(-c4ccc(F)c(F)c4)cc3)cc2)CC1
InChIInChI=1S/C31H37F2Si/c1-23(2)4-3-19-34-20-17-25(18-21-34)6-5-24-7-9-26(10-8-24)27-11-13-28(14-12-27)29-15-16-30(32)31(33)22-29/h7-16,22-23,25H,3-6,17-21H2,1-2H3
InChIKeyVZGQRVUTLDXADY-UHFFFAOYSA-N
XLogP9.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.72
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 23367412?
The IUPAC name of CID 23367412 (CID 23367412) is not available.
What is the SMILES notation for CID 23367412?
The canonical SMILES for CID 23367412 is CC(C)CCC[Si]1CCC(CCc2ccc(-c3ccc(-c4ccc(F)c(F)c4)cc3)cc2)CC1.
What is the InChIKey of CID 23367412?
The InChIKey is VZGQRVUTLDXADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37F2Si/c1-23(2)4-3-19-34-20-17-25(18-21-34)6-5-24-7-9-26(10-8-24)27-11-13-28(14-12-27)29-15-16-30(32)31(33)22-29/h7-16,22-23,25H,3-6,17-21H2,1-2H3.
What are the key properties of CID 23367412?
CID 23367412 has a molecular weight of 475.72 g/mol, XLogP of 9.57, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23367412 is sourced from PubChem (CID 23367412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).