8-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-5,5-diphenyl-[1]benzosilolo[3,2-b]pyridine

C37H29N3OSi — CID 162272328

IUPAC8-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-5,5-diphenyl-[1]benzosilolo[3,2-b]pyridine
SMILESCN1CN(c2cccc(Oc3ccc4c(c3)-c3ncccc3[Si]4(c3ccccc3)c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C37H29N3OSi/c1-39-26-40(34-19-9-8-18-33(34)39)27-12-10-13-28(24-27)41-29-21-22-35-32(25-29)37-36(20-11-23-38-37)42(35,30-14-4-2-5-15-30)31-16-6-3-7-17-31/h2-25H,26H2,1H3
InChIKeyPLLNFZXZIWCIRA-UHFFFAOYSA-N
MW559.75 g/mol
LogP5.78
Rot. Bonds5

About 8-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-5,5-diphenyl-[1]benzosilolo[3,2-b]pyridine

8-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-5,5-diphenyl-[1]benzosilolo[3,2-b]pyridine (PubChem CID 162272328) has the molecular formula C37H29N3OSi and a molecular weight of 559.75 g/mol. Its IUPAC name is 8-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-5,5-diphenyl-[1]benzosilolo[3,2-b]pyridine.

Molecular Properties

Compound Name8-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-5,5-diphenyl-[1]benzosilolo[3,2-b]pyridine
PubChem CID162272328
Molecular FormulaC37H29N3OSi
Molecular Weight559.75 g/mol
Exact Mass559.21
IUPAC Name8-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-5,5-diphenyl-[1]benzosilolo[3,2-b]pyridine
SMILESCN1CN(c2cccc(Oc3ccc4c(c3)-c3ncccc3[Si]4(c3ccccc3)c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C37H29N3OSi/c1-39-26-40(34-19-9-8-18-33(34)39)27-12-10-13-28(24-27)41-29-21-22-35-32(25-29)37-36(20-11-23-38-37)42(35,30-14-4-2-5-15-30)31-16-6-3-7-17-31/h2-25H,26H2,1H3
InChIKeyPLLNFZXZIWCIRA-UHFFFAOYSA-N
XLogP5.78
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.75
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,5-diphenyl-8-[3-[3-(2-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-[1]benzosilolo[3,2-b]pyridine
CID 162274048
5,5-diphenyl-8-[3-[3-[2-(2,3,5,6-tetradeuterio-4-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-[1]benzosilolo[3,2-b]pyridine
CID 162302038
11-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-14-pyridin-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 170668607
1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole
CID 140729745
2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole
CID 165154915
1-[2-[3-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1]benzosilin-5-yl]phenoxy]-4-pyridinyl]-3-methyl-2H-benzimidazole
CID 168848442
3-methyl-1-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-furo[2,3-d]imidazole
CID 140730371
1-(2,6-diphenylphenyl)-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole
CID 164731594
5-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]oxatriazole
CID 140730884
1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium
CID 157121404
9-[3-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]phenyl]pyrido[2,3-b]indole
CID 168848406
1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole
CID 164731879

Frequently Asked Questions

What is the IUPAC name of 8-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-5,5-diphenyl-[1]benzosilolo[3,2-b]pyridine?
The IUPAC name of 8-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-5,5-diphenyl-[1]benzosilolo[3,2-b]pyridine (CID 162272328) is 8-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-5,5-diphenyl-[1]benzosilolo[3,2-b]pyridine.
What is the SMILES notation for 8-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-5,5-diphenyl-[1]benzosilolo[3,2-b]pyridine?
The canonical SMILES for 8-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-5,5-diphenyl-[1]benzosilolo[3,2-b]pyridine is CN1CN(c2cccc(Oc3ccc4c(c3)-c3ncccc3[Si]4(c3ccccc3)c3ccccc3)c2)c2ccccc21.
What is the InChIKey of 8-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-5,5-diphenyl-[1]benzosilolo[3,2-b]pyridine?
The InChIKey is PLLNFZXZIWCIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N3OSi/c1-39-26-40(34-19-9-8-18-33(34)39)27-12-10-13-28(24-27)41-29-21-22-35-32(25-29)37-36(20-11-23-38-37)42(35,30-14-4-2-5-15-30)31-16-6-3-7-17-31/h2-25H,26H2,1H3.
What are the key properties of 8-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-5,5-diphenyl-[1]benzosilolo[3,2-b]pyridine?
8-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-5,5-diphenyl-[1]benzosilolo[3,2-b]pyridine has a molecular weight of 559.75 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-5,5-diphenyl-[1]benzosilolo[3,2-b]pyridine is sourced from PubChem (CID 162272328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).