bis[3-[5-[2,6-di(propan-2-yl)phenyl]-1-phenylimidazol-2-yl]phenyl]-dimethylsilane

C56H60N4Si — CID 140593883

IUPACbis[3-[5-[2,6-di(propan-2-yl)phenyl]-1-phenylimidazol-2-yl]phenyl]-dimethylsilane
SMILESCC(C)c1cccc(C(C)C)c1-c1cnc(-c2cccc([Si](C)(C)c3cccc(-c4ncc(-c5c(C(C)C)cccc5C(C)C)n4-c4ccccc4)c3)c2)n1-c1ccccc1
InChIInChI=1S/C56H60N4Si/c1-37(2)47-29-19-30-48(38(3)4)53(47)51-35-57-55(59(51)43-23-13-11-14-24-43)41-21-17-27-45(33-41)61(9,10)46-28-18-22-42(34-46)56-58-36-52(60(56)44-25-15-12-16-26-44)54-49(39(5)6)31-20-32-50(54)40(7)8/h11-40H,1-10H3
InChIKeyYIMPKSORHQOZQT-UHFFFAOYSA-N
MW817.21 g/mol
LogP14.04
Rot. Bonds12

About bis[3-[5-[2,6-di(propan-2-yl)phenyl]-1-phenylimidazol-2-yl]phenyl]-dimethylsilane

bis[3-[5-[2,6-di(propan-2-yl)phenyl]-1-phenylimidazol-2-yl]phenyl]-dimethylsilane (PubChem CID 140593883) has the molecular formula C56H60N4Si and a molecular weight of 817.21 g/mol. Its IUPAC name is bis[3-[5-[2,6-di(propan-2-yl)phenyl]-1-phenylimidazol-2-yl]phenyl]-dimethylsilane.

Molecular Properties

Compound Namebis[3-[5-[2,6-di(propan-2-yl)phenyl]-1-phenylimidazol-2-yl]phenyl]-dimethylsilane
PubChem CID140593883
Molecular FormulaC56H60N4Si
Molecular Weight817.21 g/mol
Exact Mass816.46
IUPAC Namebis[3-[5-[2,6-di(propan-2-yl)phenyl]-1-phenylimidazol-2-yl]phenyl]-dimethylsilane
SMILESCC(C)c1cccc(C(C)C)c1-c1cnc(-c2cccc([Si](C)(C)c3cccc(-c4ncc(-c5c(C(C)C)cccc5C(C)C)n4-c4ccccc4)c3)c2)n1-c1ccccc1
InChIInChI=1S/C56H60N4Si/c1-37(2)47-29-19-30-48(38(3)4)53(47)51-35-57-55(59(51)43-23-13-11-14-24-43)41-21-17-27-45(33-41)61(9,10)46-28-18-22-42(34-46)56-58-36-52(60(56)44-25-15-12-16-26-44)54-49(39(5)6)31-20-32-50(54)40(7)8/h11-40H,1-10H3
InChIKeyYIMPKSORHQOZQT-UHFFFAOYSA-N
XLogP14.04
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.21
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3,6,7-tetramethyl-9-[4-[5-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]carbazole
CID 140799931
4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole
CID 134308768
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]sulfanylphenyl]benzimidazole
CID 140593650
3,5-bis(3-methylphenyl)-4-phenyl-1,2,4-triazole
CID 58390339
5-[2,6-di(propan-2-yl)phenyl]-3,4-dimethyl-1-phenylpyrazole
CID 153435552
[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazol-2-yl]-dimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]silane
CID 167381579
1,2-diphenyl-3-propan-2-ylbenzene
CID 20568657
2-phenyl-3-propan-2-ylphenol
CID 54177325
1-(3-bromophenyl)-4-[2,6-di(propan-2-yl)phenyl]pyrazole
CID 135344077
trimethyl-[2-(9-phenylcarbazol-3-yl)-5-propan-2-yl-4-pyridinyl]silane
CID 140719743
1-methyl-5-phenyl-2-propan-2-ylimidazole
CID 83381613
3-(2,6-dimethylphenyl)-4-[2,6-di(propan-2-yl)phenyl]-5-phenyl-1,2,4-triazole
CID 90190715

Frequently Asked Questions

What is the IUPAC name of bis[3-[5-[2,6-di(propan-2-yl)phenyl]-1-phenylimidazol-2-yl]phenyl]-dimethylsilane?
The IUPAC name of bis[3-[5-[2,6-di(propan-2-yl)phenyl]-1-phenylimidazol-2-yl]phenyl]-dimethylsilane (CID 140593883) is bis[3-[5-[2,6-di(propan-2-yl)phenyl]-1-phenylimidazol-2-yl]phenyl]-dimethylsilane.
What is the SMILES notation for bis[3-[5-[2,6-di(propan-2-yl)phenyl]-1-phenylimidazol-2-yl]phenyl]-dimethylsilane?
The canonical SMILES for bis[3-[5-[2,6-di(propan-2-yl)phenyl]-1-phenylimidazol-2-yl]phenyl]-dimethylsilane is CC(C)c1cccc(C(C)C)c1-c1cnc(-c2cccc([Si](C)(C)c3cccc(-c4ncc(-c5c(C(C)C)cccc5C(C)C)n4-c4ccccc4)c3)c2)n1-c1ccccc1.
What is the InChIKey of bis[3-[5-[2,6-di(propan-2-yl)phenyl]-1-phenylimidazol-2-yl]phenyl]-dimethylsilane?
The InChIKey is YIMPKSORHQOZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H60N4Si/c1-37(2)47-29-19-30-48(38(3)4)53(47)51-35-57-55(59(51)43-23-13-11-14-24-43)41-21-17-27-45(33-41)61(9,10)46-28-18-22-42(34-46)56-58-36-52(60(56)44-25-15-12-16-26-44)54-49(39(5)6)31-20-32-50(54)40(7)8/h11-40H,1-10H3.
What are the key properties of bis[3-[5-[2,6-di(propan-2-yl)phenyl]-1-phenylimidazol-2-yl]phenyl]-dimethylsilane?
bis[3-[5-[2,6-di(propan-2-yl)phenyl]-1-phenylimidazol-2-yl]phenyl]-dimethylsilane has a molecular weight of 817.21 g/mol, XLogP of 14.04, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-[5-[2,6-di(propan-2-yl)phenyl]-1-phenylimidazol-2-yl]phenyl]-dimethylsilane is sourced from PubChem (CID 140593883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).