[4-[2,6-difluoro-4-[2-(7-phenyldibenzofuran-4-yl)benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane

C46H42F2N2OSi — CID 169299507

IUPAC[4-[2,6-difluoro-4-[2-(7-phenyldibenzofuran-4-yl)benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane
SMILESCC(C)c1c(F)c(-c2ccc([Si](C)(C)C)cc2)c(F)c(C(C)C)c1-n1c(-c2cccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21
InChIInChI=1S/C46H42F2N2OSi/c1-27(2)39-42(47)41(30-20-23-32(24-21-30)52(5,6)7)43(48)40(28(3)4)44(39)50-37-19-12-11-18-36(37)49-46(50)35-17-13-16-34-33-25-22-31(26-38(33)51-45(34)35)29-14-9-8-10-15-29/h8-28H,1-7H3
InChIKeyGSEITCFHRALFOT-UHFFFAOYSA-N
MW704.94 g/mol
LogP13.00
Rot. Bonds7

About [4-[2,6-difluoro-4-[2-(7-phenyldibenzofuran-4-yl)benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane

[4-[2,6-difluoro-4-[2-(7-phenyldibenzofuran-4-yl)benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane (PubChem CID 169299507) has the molecular formula C46H42F2N2OSi and a molecular weight of 704.94 g/mol. Its IUPAC name is [4-[2,6-difluoro-4-[2-(7-phenyldibenzofuran-4-yl)benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[2,6-difluoro-4-[2-(7-phenyldibenzofuran-4-yl)benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane
PubChem CID169299507
Molecular FormulaC46H42F2N2OSi
Molecular Weight704.94 g/mol
Exact Mass704.30
IUPAC Name[4-[2,6-difluoro-4-[2-(7-phenyldibenzofuran-4-yl)benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane
SMILESCC(C)c1c(F)c(-c2ccc([Si](C)(C)C)cc2)c(F)c(C(C)C)c1-n1c(-c2cccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21
InChIInChI=1S/C46H42F2N2OSi/c1-27(2)39-42(47)41(30-20-23-32(24-21-30)52(5,6)7)43(48)40(28(3)4)44(39)50-37-19-12-11-18-36(37)49-46(50)35-17-13-16-34-33-25-22-31(26-38(33)51-45(34)35)29-14-9-8-10-15-29/h8-28H,1-7H3
InChIKeyGSEITCFHRALFOT-UHFFFAOYSA-N
XLogP13.00
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.94
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 162776703
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-[2,3,4,6-tetrafluoro-5-(trifluoromethyl)phenyl]dibenzofuran-4-yl]benzimidazole
CID 169301365
1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole
CID 156657361
[6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane
CID 170931382
1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 167388071
3-[6-[1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]benzonitrile
CID 171461592
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 156659271
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156657595
1-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)-2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 176865596
2-(6,8-difluoro-7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176583813
2-(1-fluoro-7-phenyldibenzofuran-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 169299441
1-[4-(1,1-dimethyl-3,4-dihydro-2H-1-benzogermin-6-yl)-2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 168743639

Frequently Asked Questions

What is the IUPAC name of [4-[2,6-difluoro-4-[2-(7-phenyldibenzofuran-4-yl)benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[2,6-difluoro-4-[2-(7-phenyldibenzofuran-4-yl)benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane (CID 169299507) is [4-[2,6-difluoro-4-[2-(7-phenyldibenzofuran-4-yl)benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[2,6-difluoro-4-[2-(7-phenyldibenzofuran-4-yl)benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[2,6-difluoro-4-[2-(7-phenyldibenzofuran-4-yl)benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane is CC(C)c1c(F)c(-c2ccc([Si](C)(C)C)cc2)c(F)c(C(C)C)c1-n1c(-c2cccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.
What is the InChIKey of [4-[2,6-difluoro-4-[2-(7-phenyldibenzofuran-4-yl)benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane?
The InChIKey is GSEITCFHRALFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H42F2N2OSi/c1-27(2)39-42(47)41(30-20-23-32(24-21-30)52(5,6)7)43(48)40(28(3)4)44(39)50-37-19-12-11-18-36(37)49-46(50)35-17-13-16-34-33-25-22-31(26-38(33)51-45(34)35)29-14-9-8-10-15-29/h8-28H,1-7H3.
What are the key properties of [4-[2,6-difluoro-4-[2-(7-phenyldibenzofuran-4-yl)benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane?
[4-[2,6-difluoro-4-[2-(7-phenyldibenzofuran-4-yl)benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane has a molecular weight of 704.94 g/mol, XLogP of 13.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,6-difluoro-4-[2-(7-phenyldibenzofuran-4-yl)benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 169299507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).