CID 136883665

C23H21O3Si — CID 136883665

IUPAC—
SMILESCOc1ccc(C([Si])=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H21O3Si/c1-24-19-10-4-16(5-11-19)22(17-6-12-20(25-2)13-7-17)23(27)18-8-14-21(26-3)15-9-18/h4-15H,1-3H3
InChIKeyLLAJMVNHYOWEIK-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.80
Rot. Bonds6

About CID 136883665

CID 136883665 (PubChem CID 136883665) has the molecular formula C23H21O3Si and a molecular weight of 373.50 g/mol.

Molecular Properties

Compound NameCID 136883665
PubChem CID136883665
Molecular FormulaC23H21O3Si
Molecular Weight373.50 g/mol
Exact Mass373.13
IUPAC Name—
SMILESCOc1ccc(C([Si])=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H21O3Si/c1-24-19-10-4-16(5-11-19)22(17-6-12-20(25-2)13-7-17)23(27)18-8-14-21(26-3)15-9-18/h4-15H,1-3H3
InChIKeyLLAJMVNHYOWEIK-UHFFFAOYSA-N
XLogP4.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-1,2-bis(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 58362282
4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine
CID 121329846
N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline
CID 101376712
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
CID 12714057
CID 12714057
2,3,3-tris(4-methoxyphenyl)prop-2-enal
CID 13400445
1-[2,2-difluoro-1-(4-fluorophenyl)ethenyl]-4-methoxybenzene
CID 11623099
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
CID 132514241
N'-amino-4-methoxybenzenecarboximidamide
CID 54365169
(4-methoxyphenyl)-dimethylsilanylium
CID 100925483

Frequently Asked Questions

What is the IUPAC name of CID 136883665?
The IUPAC name of CID 136883665 (CID 136883665) is not available.
What is the SMILES notation for CID 136883665?
The canonical SMILES for CID 136883665 is COc1ccc(C([Si])=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of CID 136883665?
The InChIKey is LLAJMVNHYOWEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21O3Si/c1-24-19-10-4-16(5-11-19)22(17-6-12-20(25-2)13-7-17)23(27)18-8-14-21(26-3)15-9-18/h4-15H,1-3H3.
What are the key properties of CID 136883665?
CID 136883665 has a molecular weight of 373.50 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136883665 is sourced from PubChem (CID 136883665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).