tert-butyl-dimethyl-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-yl]oxysilane

C34H33N3OSi — CID 67362201

IUPACtert-butyl-dimethyl-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2cccnc12
InChIInChI=1S/C34H33N3OSi/c1-34(2,3)39(4,5)38-31-22-21-27(28-14-11-23-35-32(28)31)24-17-19-25(20-18-24)33-36-29-15-9-10-16-30(29)37(33)26-12-7-6-8-13-26/h6-23H,1-5H3
InChIKeyHROBKBIBLKTPBL-UHFFFAOYSA-N
MW527.74 g/mol
LogP9.29
Rot. Bonds5

About tert-butyl-dimethyl-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-yl]oxysilane

tert-butyl-dimethyl-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-yl]oxysilane (PubChem CID 67362201) has the molecular formula C34H33N3OSi and a molecular weight of 527.74 g/mol. Its IUPAC name is tert-butyl-dimethyl-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-yl]oxysilane
PubChem CID67362201
Molecular FormulaC34H33N3OSi
Molecular Weight527.74 g/mol
Exact Mass527.24
IUPAC Nametert-butyl-dimethyl-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2cccnc12
InChIInChI=1S/C34H33N3OSi/c1-34(2,3)39(4,5)38-31-22-21-27(28-14-11-23-35-32(28)31)24-17-19-25(20-18-24)33-36-29-15-9-10-16-30(29)37(33)26-12-7-6-8-13-26/h6-23H,1-5H3
InChIKeyHROBKBIBLKTPBL-UHFFFAOYSA-N
XLogP9.29
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.74
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-yl]oxysilane (CID 67362201) is tert-butyl-dimethyl-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-yl]oxysilane is CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2cccnc12.
What is the InChIKey of tert-butyl-dimethyl-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-yl]oxysilane?
The InChIKey is HROBKBIBLKTPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3OSi/c1-34(2,3)39(4,5)38-31-22-21-27(28-14-11-23-35-32(28)31)24-17-19-25(20-18-24)33-36-29-15-9-10-16-30(29)37(33)26-12-7-6-8-13-26/h6-23H,1-5H3.
What are the key properties of tert-butyl-dimethyl-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-yl]oxysilane?
tert-butyl-dimethyl-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-yl]oxysilane has a molecular weight of 527.74 g/mol, XLogP of 9.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-yl]oxysilane is sourced from PubChem (CID 67362201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).