trimethyl-[8-[1-[8-[methyl-di(propan-2-yl)silyl]-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]silane

C46H53N3O2Si2 — CID 172542825

IUPACtrimethyl-[8-[1-[8-[methyl-di(propan-2-yl)silyl]-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]silane
SMILESCC(C)c1cc2c(oc3ccc([Si](C)(C(C)C)C(C)C)cc32)c(C(C)C)c1-n1c(-c2cccc3c2oc2nc([Si](C)(C)C)ccc23)nc2ccccc21
InChIInChI=1S/C46H53N3O2Si2/c1-26(2)34-25-36-35-24-30(53(12,28(5)6)29(7)8)20-22-39(35)50-44(36)41(27(3)4)42(34)49-38-19-14-13-18-37(38)47-45(49)33-17-15-16-31-32-21-23-40(52(9,10)11)48-46(32)51-43(31)33/h13-29H,1-12H3
InChIKeyLGQZLMSPDNNQGL-UHFFFAOYSA-N
MW736.12 g/mol
LogP12.78
Rot. Bonds8

About trimethyl-[8-[1-[8-[methyl-di(propan-2-yl)silyl]-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]silane

trimethyl-[8-[1-[8-[methyl-di(propan-2-yl)silyl]-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]silane (PubChem CID 172542825) has the molecular formula C46H53N3O2Si2 and a molecular weight of 736.12 g/mol. Its IUPAC name is trimethyl-[8-[1-[8-[methyl-di(propan-2-yl)silyl]-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]silane.

Molecular Properties

Compound Nametrimethyl-[8-[1-[8-[methyl-di(propan-2-yl)silyl]-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]silane
PubChem CID172542825
Molecular FormulaC46H53N3O2Si2
Molecular Weight736.12 g/mol
Exact Mass735.37
IUPAC Nametrimethyl-[8-[1-[8-[methyl-di(propan-2-yl)silyl]-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]silane
SMILESCC(C)c1cc2c(oc3ccc([Si](C)(C(C)C)C(C)C)cc32)c(C(C)C)c1-n1c(-c2cccc3c2oc2nc([Si](C)(C)C)ccc23)nc2ccccc21
InChIInChI=1S/C46H53N3O2Si2/c1-26(2)34-25-36-35-24-30(53(12,28(5)6)29(7)8)20-22-39(35)50-44(36)41(27(3)4)42(34)49-38-19-14-13-18-37(38)47-45(49)33-17-15-16-31-32-21-23-40(52(9,10)11)48-46(32)51-43(31)33/h13-29H,1-12H3
InChIKeyLGQZLMSPDNNQGL-UHFFFAOYSA-N
XLogP12.78
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.12
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane
CID 170931382
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(10,14,21-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-8-yl)benzimidazole
CID 168799242
1-[1,3-di(propan-2-yl)triphenylen-2-yl]-2-[7-(trifluoromethyl)dibenzofuran-4-yl]benzimidazole
CID 170520930
[4-(2-dibenzofuran-4-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-trimethylgermane
CID 170931400
2-fluoro-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668460
trimethyl-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]silane
CID 176583988
8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]-5-methylbenzimidazol-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 156670538
8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 129021274
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-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 156659271
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
2-dibenzofuran-4-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 167356370

Frequently Asked Questions

What is the IUPAC name of trimethyl-[8-[1-[8-[methyl-di(propan-2-yl)silyl]-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]silane?
The IUPAC name of trimethyl-[8-[1-[8-[methyl-di(propan-2-yl)silyl]-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]silane (CID 172542825) is trimethyl-[8-[1-[8-[methyl-di(propan-2-yl)silyl]-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]silane.
What is the SMILES notation for trimethyl-[8-[1-[8-[methyl-di(propan-2-yl)silyl]-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]silane?
The canonical SMILES for trimethyl-[8-[1-[8-[methyl-di(propan-2-yl)silyl]-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]silane is CC(C)c1cc2c(oc3ccc([Si](C)(C(C)C)C(C)C)cc32)c(C(C)C)c1-n1c(-c2cccc3c2oc2nc([Si](C)(C)C)ccc23)nc2ccccc21.
What is the InChIKey of trimethyl-[8-[1-[8-[methyl-di(propan-2-yl)silyl]-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]silane?
The InChIKey is LGQZLMSPDNNQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H53N3O2Si2/c1-26(2)34-25-36-35-24-30(53(12,28(5)6)29(7)8)20-22-39(35)50-44(36)41(27(3)4)42(34)49-38-19-14-13-18-37(38)47-45(49)33-17-15-16-31-32-21-23-40(52(9,10)11)48-46(32)51-43(31)33/h13-29H,1-12H3.
What are the key properties of trimethyl-[8-[1-[8-[methyl-di(propan-2-yl)silyl]-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]silane?
trimethyl-[8-[1-[8-[methyl-di(propan-2-yl)silyl]-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]silane has a molecular weight of 736.12 g/mol, XLogP of 12.78, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[8-[1-[8-[methyl-di(propan-2-yl)silyl]-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]silane is sourced from PubChem (CID 172542825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).