CID 175184222

C44H39O2Si — CID 175184222

IUPAC—
SMILESCc1ccc(C2=Cc3c(cc(C)c(C)c3-c3ccccc3)C2)o1.Cc1ccc(C2=Cc3c(cc(C)c(C)c3-c3ccccc3)C2[Si])o1
InChIInChI=1S/C22H19OSi.C22H20O/c1-13-11-18-17(21(15(13)3)16-7-5-4-6-8-16)12-19(22(18)24)20-10-9-14(2)23-20;1-14-11-18-12-19(21-10-9-15(2)23-21)13-20(18)22(16(14)3)17-7-5-4-6-8-17/h4-12,22H,1-3H3;4-11,13H,12H2,1-3H3
InChIKeyYQVWNJVFYBPSKY-UHFFFAOYSA-N
MW627.88 g/mol
LogP11.60
Rot. Bonds4

About CID 175184222

CID 175184222 (PubChem CID 175184222) has the molecular formula C44H39O2Si and a molecular weight of 627.88 g/mol.

Molecular Properties

Compound NameCID 175184222
PubChem CID175184222
Molecular FormulaC44H39O2Si
Molecular Weight627.88 g/mol
Exact Mass627.27
IUPAC Name—
SMILESCc1ccc(C2=Cc3c(cc(C)c(C)c3-c3ccccc3)C2)o1.Cc1ccc(C2=Cc3c(cc(C)c(C)c3-c3ccccc3)C2[Si])o1
InChIInChI=1S/C22H19OSi.C22H20O/c1-13-11-18-17(21(15(13)3)16-7-5-4-6-8-16)12-19(22(18)24)20-10-9-14(2)23-20;1-14-11-18-12-19(21-10-9-15(2)23-21)13-20(18)22(16(14)3)17-7-5-4-6-8-17/h4-12,22H,1-3H3;4-11,13H,12H2,1-3H3
InChIKeyYQVWNJVFYBPSKY-UHFFFAOYSA-N
XLogP11.60
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.88
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 175184222?
The IUPAC name of CID 175184222 (CID 175184222) is not available.
What is the SMILES notation for CID 175184222?
The canonical SMILES for CID 175184222 is Cc1ccc(C2=Cc3c(cc(C)c(C)c3-c3ccccc3)C2)o1.Cc1ccc(C2=Cc3c(cc(C)c(C)c3-c3ccccc3)C2[Si])o1.
What is the InChIKey of CID 175184222?
The InChIKey is YQVWNJVFYBPSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19OSi.C22H20O/c1-13-11-18-17(21(15(13)3)16-7-5-4-6-8-16)12-19(22(18)24)20-10-9-14(2)23-20;1-14-11-18-12-19(21-10-9-15(2)23-21)13-20(18)22(16(14)3)17-7-5-4-6-8-17/h4-12,22H,1-3H3;4-11,13H,12H2,1-3H3.
What are the key properties of CID 175184222?
CID 175184222 has a molecular weight of 627.88 g/mol, XLogP of 11.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175184222 is sourced from PubChem (CID 175184222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).