trimethyl-[3-[3-methyl-2-(2-methyl-3-pyridinyl)benzimidazol-3-ium-1-yl]-2-trimethylsilyldibenzofuran-4-yl]silane

C32H36N3OSi2+ — CID 140847277

IUPACtrimethyl-[3-[3-methyl-2-(2-methyl-3-pyridinyl)benzimidazol-3-ium-1-yl]-2-trimethylsilyldibenzofuran-4-yl]silane
SMILESCc1ncccc1-c1n(-c2c([Si](C)(C)C)cc3c(oc4ccccc43)c2[Si](C)(C)C)c2ccccc2[n+]1C
InChIInChI=1S/C32H36N3OSi2/c1-21-22(15-13-19-33-21)32-34(2)25-16-10-11-17-26(25)35(32)29-28(37(3,4)5)20-24-23-14-9-12-18-27(23)36-30(24)31(29)38(6,7)8/h9-20H,1-8H3/q+1
InChIKeyWOJPCBSYODBSGM-UHFFFAOYSA-N
MW534.83 g/mol
LogP6.82
Rot. Bonds4

About trimethyl-[3-[3-methyl-2-(2-methyl-3-pyridinyl)benzimidazol-3-ium-1-yl]-2-trimethylsilyldibenzofuran-4-yl]silane

trimethyl-[3-[3-methyl-2-(2-methyl-3-pyridinyl)benzimidazol-3-ium-1-yl]-2-trimethylsilyldibenzofuran-4-yl]silane (PubChem CID 140847277) has the molecular formula C32H36N3OSi2+ and a molecular weight of 534.83 g/mol. Its IUPAC name is trimethyl-[3-[3-methyl-2-(2-methyl-3-pyridinyl)benzimidazol-3-ium-1-yl]-2-trimethylsilyldibenzofuran-4-yl]silane.

Molecular Properties

Compound Nametrimethyl-[3-[3-methyl-2-(2-methyl-3-pyridinyl)benzimidazol-3-ium-1-yl]-2-trimethylsilyldibenzofuran-4-yl]silane
PubChem CID140847277
Molecular FormulaC32H36N3OSi2+
Molecular Weight534.83 g/mol
Exact Mass534.24
IUPAC Nametrimethyl-[3-[3-methyl-2-(2-methyl-3-pyridinyl)benzimidazol-3-ium-1-yl]-2-trimethylsilyldibenzofuran-4-yl]silane
SMILESCc1ncccc1-c1n(-c2c([Si](C)(C)C)cc3c(oc4ccccc43)c2[Si](C)(C)C)c2ccccc2[n+]1C
InChIInChI=1S/C32H36N3OSi2/c1-21-22(15-13-19-33-21)32-34(2)25-16-10-11-17-26(25)35(32)29-28(37(3,4)5)20-24-23-14-9-12-18-27(23)36-30(24)31(29)38(6,7)8/h9-20H,1-8H3/q+1
InChIKeyWOJPCBSYODBSGM-UHFFFAOYSA-N
XLogP6.82
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.83
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 158080257
7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6,8-di(propan-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 158080256
1-[5,7-di(propan-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-6-yl]-3-methyl-2-(3-methyldibenzofuran-4-yl)benzimidazol-3-ium
CID 169322423
1-dibenzofuran-3-yl-3-methyl-2-(6-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)benzimidazol-3-ium
CID 169322329
1-methyl-2-(3-methyldibenzofuran-4-yl)-3-[6-phenyl-1,3-di(propan-2-yl)dibenzofuran-2-yl]benzimidazol-1-ium
CID 169322340
1-methyl-2-(3-methyl-7-phenyldibenzofuran-4-yl)-3-(2,4,6-triphenylphenyl)benzimidazol-1-ium
CID 167339108
1-[4-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]-3-methyl-2-(3-methyldibenzofuran-4-yl)benzimidazol-3-ium
CID 167339150
1-methyl-2-(3-methyldibenzofuran-4-yl)-3-[4-(4-phenylcyclohepta-1,3,6-trien-1-yl)-2,6-di(propan-2-yl)phenyl]benzimidazol-1-ium
CID 167387883
1-methyl-2-[2-methyl-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-3-phenylbenzimidazol-1-ium
CID 166051589
1-[7,9-di(propan-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]-3-methyl-2-(3-methyldibenzofuran-4-yl)benzimidazol-3-ium
CID 169322370
dibenzofuran-4-yl(trimethyl)silane
CID 10752569
trimethyl-[9'-methyl-2'-(2-methylpropyl)-22-(2,4,6-trimethylphenyl)spiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]silane
CID 167355663

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-[3-methyl-2-(2-methyl-3-pyridinyl)benzimidazol-3-ium-1-yl]-2-trimethylsilyldibenzofuran-4-yl]silane?
The IUPAC name of trimethyl-[3-[3-methyl-2-(2-methyl-3-pyridinyl)benzimidazol-3-ium-1-yl]-2-trimethylsilyldibenzofuran-4-yl]silane (CID 140847277) is trimethyl-[3-[3-methyl-2-(2-methyl-3-pyridinyl)benzimidazol-3-ium-1-yl]-2-trimethylsilyldibenzofuran-4-yl]silane.
What is the SMILES notation for trimethyl-[3-[3-methyl-2-(2-methyl-3-pyridinyl)benzimidazol-3-ium-1-yl]-2-trimethylsilyldibenzofuran-4-yl]silane?
The canonical SMILES for trimethyl-[3-[3-methyl-2-(2-methyl-3-pyridinyl)benzimidazol-3-ium-1-yl]-2-trimethylsilyldibenzofuran-4-yl]silane is Cc1ncccc1-c1n(-c2c([Si](C)(C)C)cc3c(oc4ccccc43)c2[Si](C)(C)C)c2ccccc2[n+]1C.
What is the InChIKey of trimethyl-[3-[3-methyl-2-(2-methyl-3-pyridinyl)benzimidazol-3-ium-1-yl]-2-trimethylsilyldibenzofuran-4-yl]silane?
The InChIKey is WOJPCBSYODBSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N3OSi2/c1-21-22(15-13-19-33-21)32-34(2)25-16-10-11-17-26(25)35(32)29-28(37(3,4)5)20-24-23-14-9-12-18-27(23)36-30(24)31(29)38(6,7)8/h9-20H,1-8H3/q+1.
What are the key properties of trimethyl-[3-[3-methyl-2-(2-methyl-3-pyridinyl)benzimidazol-3-ium-1-yl]-2-trimethylsilyldibenzofuran-4-yl]silane?
trimethyl-[3-[3-methyl-2-(2-methyl-3-pyridinyl)benzimidazol-3-ium-1-yl]-2-trimethylsilyldibenzofuran-4-yl]silane has a molecular weight of 534.83 g/mol, XLogP of 6.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[3-methyl-2-(2-methyl-3-pyridinyl)benzimidazol-3-ium-1-yl]-2-trimethylsilyldibenzofuran-4-yl]silane is sourced from PubChem (CID 140847277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).