[6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane

C34H36N2OSi — CID 170931382

IUPAC[6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2cccc3c2oc2cc([Si](C)(C)C)ccc23)nc2ccccc21
InChIInChI=1S/C34H36N2OSi/c1-21(2)24-12-10-13-25(22(3)4)32(24)36-30-17-9-8-16-29(30)35-34(36)28-15-11-14-27-26-19-18-23(38(5,6)7)20-31(26)37-33(27)28/h8-22H,1-7H3
InChIKeyKUJSMNJSWUGFCR-UHFFFAOYSA-N
MW516.76 g/mol
LogP9.38
Rot. Bonds5

About [6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane

[6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane (PubChem CID 170931382) has the molecular formula C34H36N2OSi and a molecular weight of 516.76 g/mol. Its IUPAC name is [6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane
PubChem CID170931382
Molecular FormulaC34H36N2OSi
Molecular Weight516.76 g/mol
Exact Mass516.26
IUPAC Name[6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2cccc3c2oc2cc([Si](C)(C)C)ccc23)nc2ccccc21
InChIInChI=1S/C34H36N2OSi/c1-21(2)24-12-10-13-25(22(3)4)32(24)36-30-17-9-8-16-29(30)35-34(36)28-15-11-14-27-26-19-18-23(38(5,6)7)20-31(26)37-33(27)28/h8-22H,1-7H3
InChIKeyKUJSMNJSWUGFCR-UHFFFAOYSA-N
XLogP9.38
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.76
LogP ≤ 59.38
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
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176751448
2-dibenzofuran-4-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 167356370
2-(7-cyclohexyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176784424
trimethyl-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]silane
CID 176583988
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 156659271
[4-(2-dibenzofuran-4-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-trimethylgermane
CID 170931400
1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 167388071
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156657595
6-[1-[4-[methyl(diphenyl)silyl]-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-carbonitrile
CID 172542709
[4-[2,6-difluoro-4-[2-(7-phenyldibenzofuran-4-yl)benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane
CID 169299507
1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)benzimidazole
CID 156657597

Frequently Asked Questions

What is the IUPAC name of [6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane?
The IUPAC name of [6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane (CID 170931382) is [6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane.
What is the SMILES notation for [6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane?
The canonical SMILES for [6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane is CC(C)c1cccc(C(C)C)c1-n1c(-c2cccc3c2oc2cc([Si](C)(C)C)ccc23)nc2ccccc21.
What is the InChIKey of [6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane?
The InChIKey is KUJSMNJSWUGFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2OSi/c1-21(2)24-12-10-13-25(22(3)4)32(24)36-30-17-9-8-16-29(30)35-34(36)28-15-11-14-27-26-19-18-23(38(5,6)7)20-31(26)37-33(27)28/h8-22H,1-7H3.
What are the key properties of [6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane?
[6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane has a molecular weight of 516.76 g/mol, XLogP of 9.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane is sourced from PubChem (CID 170931382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).