CID 139244826

C27H32N2Si — CID 139244826

IUPAC—
SMILESCc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2[Si]c2ccccc2)c(C)c1
InChIInChI=1S/C27H32N2Si/c1-18-14-20(3)25(21(4)15-18)28-12-13-29(26-22(5)16-19(2)17-23(26)6)27(28)30-24-10-8-7-9-11-24/h7-11,14-17,27H,12-13H2,1-6H3
InChIKeyLMWPQASGHHSXEL-UHFFFAOYSA-N
MW412.65 g/mol
LogP5.18
Rot. Bonds4

About CID 139244826

CID 139244826 (PubChem CID 139244826) has the molecular formula C27H32N2Si and a molecular weight of 412.65 g/mol.

Molecular Properties

Compound NameCID 139244826
PubChem CID139244826
Molecular FormulaC27H32N2Si
Molecular Weight412.65 g/mol
Exact Mass412.23
IUPAC Name—
SMILESCc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2[Si]c2ccccc2)c(C)c1
InChIInChI=1S/C27H32N2Si/c1-18-14-20(3)25(21(4)15-18)28-12-13-29(26-22(5)16-19(2)17-23(26)6)27(28)30-24-10-8-7-9-11-24/h7-11,14-17,27H,12-13H2,1-6H3
InChIKeyLMWPQASGHHSXEL-UHFFFAOYSA-N
XLogP5.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.65
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
CID 11774625
1-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]piperidine
CID 22600180
2-(2-chloropropan-2-yl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
CID 138636909
2-[dichloro(phenyl)methyl]-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole
CID 90751934
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole-2-thiol
CID 71730840
1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole
CID 66843107
(4S)-4-phenyl-1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium
CID 56834307
(4S,5S)-4,5-diphenyl-1-(2-phenylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidine
CID 134942689
CID 119078214
CID 119078214
CID 101475276
CID 101475276
benzylidene(dichloro)ruthenium;2-methanidyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine;tricyclohexylphosphanium
CID 59130198
1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole
CID 171371589

Frequently Asked Questions

What is the IUPAC name of CID 139244826?
The IUPAC name of CID 139244826 (CID 139244826) is not available.
What is the SMILES notation for CID 139244826?
The canonical SMILES for CID 139244826 is Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2[Si]c2ccccc2)c(C)c1.
What is the InChIKey of CID 139244826?
The InChIKey is LMWPQASGHHSXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2Si/c1-18-14-20(3)25(21(4)15-18)28-12-13-29(26-22(5)16-19(2)17-23(26)6)27(28)30-24-10-8-7-9-11-24/h7-11,14-17,27H,12-13H2,1-6H3.
What are the key properties of CID 139244826?
CID 139244826 has a molecular weight of 412.65 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139244826 is sourced from PubChem (CID 139244826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).