2-[1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol

C43H33N3O2Si — CID 140832986

IUPAC2-[1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol
SMILESC[Si](C)(C)c1ccc(-c2cc(-c3cccc4c3nc(-c3ccccc3O)n4-c3cccc4ccccc34)cc3c2oc2ccccc23)nc1
InChIInChI=1S/C43H33N3O2Si/c1-49(2,3)29-22-23-36(44-26-29)35-25-28(24-34-32-15-7-9-21-40(32)48-42(34)35)31-17-11-19-38-41(31)45-43(33-16-6-8-20-39(33)47)46(38)37-18-10-13-27-12-4-5-14-30(27)37/h4-26,47H,1-3H3
InChIKeyHIXWHEOZGGZFCI-UHFFFAOYSA-N
MW651.84 g/mol
LogP10.72
Rot. Bonds5

About 2-[1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol

2-[1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol (PubChem CID 140832986) has the molecular formula C43H33N3O2Si and a molecular weight of 651.84 g/mol. Its IUPAC name is 2-[1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol
PubChem CID140832986
Molecular FormulaC43H33N3O2Si
Molecular Weight651.84 g/mol
Exact Mass651.23
IUPAC Name2-[1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol
SMILESC[Si](C)(C)c1ccc(-c2cc(-c3cccc4c3nc(-c3ccccc3O)n4-c3cccc4ccccc34)cc3c2oc2ccccc23)nc1
InChIInChI=1S/C43H33N3O2Si/c1-49(2,3)29-22-23-36(44-26-29)35-25-28(24-34-32-15-7-9-21-40(32)48-42(34)35)31-17-11-19-38-41(31)45-43(33-16-6-8-20-39(33)47)46(38)37-18-10-13-27-12-4-5-14-30(27)37/h4-26,47H,1-3H3
InChIKeyHIXWHEOZGGZFCI-UHFFFAOYSA-N
XLogP10.72
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.84
LogP ≤ 510.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methylpropyl)-2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol
CID 140833103
2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylbenzimidazol-2-yl]phenol
CID 171420101
2-[1-naphthalen-1-yl-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2-[1-naphthalen-1-yl-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]-5-phenylphenol;2-[1-naphthalen-1-yl-4-[2-(5-trimethylsilyl-2-pyridinyl)-3H-dibenzofuran-3-id-4-yl]benzimidazol-2-yl]-5-phenylphenol;2-[1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)-3H-dibenzofuran-3-id-2-yl]benzimidazol-2-yl]-5-phenylphenol;platinum
CID 157316083
1-[1-naphthalen-1-yl-4-(4-pyridin-2-yldibenzofuran-2-yl)benzimidazol-2-yl]-9H-carbazole
CID 140934498
2,4-ditert-butyl-6-[1-methyl-4-[2-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-4-yl]benzimidazol-2-yl]phenol
CID 140832469
2-[1-phenyl-4-[4-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]dibenzofuran-2-yl]benzimidazol-2-yl]phenol
CID 162783143
11-[4-(5-tert-butyl-2-pyridinyl)dibenzofuran-2-yl]-5,5,6,6-tetramethylbenzimidazolo[2,1-a]isoquinolin-1-ol
CID 162493985
2-[4-[3-(3,5-ditert-butylphenyl)-5-(5-trimethylsilyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 140833081
2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 162783397
2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[3-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-5-[3-(2-methylpropyl)phenyl]phenol
CID 140832348
2-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol
CID 140833006
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-5-phenylphenyl]benzimidazol-2-yl]phenol
CID 162783177

Frequently Asked Questions

What is the IUPAC name of 2-[1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol?
The IUPAC name of 2-[1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol (CID 140832986) is 2-[1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol?
The canonical SMILES for 2-[1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol is C[Si](C)(C)c1ccc(-c2cc(-c3cccc4c3nc(-c3ccccc3O)n4-c3cccc4ccccc34)cc3c2oc2ccccc23)nc1.
What is the InChIKey of 2-[1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol?
The InChIKey is HIXWHEOZGGZFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N3O2Si/c1-49(2,3)29-22-23-36(44-26-29)35-25-28(24-34-32-15-7-9-21-40(32)48-42(34)35)31-17-11-19-38-41(31)45-43(33-16-6-8-20-39(33)47)46(38)37-18-10-13-27-12-4-5-14-30(27)37/h4-26,47H,1-3H3.
What are the key properties of 2-[1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol?
2-[1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol has a molecular weight of 651.84 g/mol, XLogP of 10.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 140832986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).