[4-(4-tert-butyl-2,6-diphenylphenyl)-2-(4-methyldibenzofuran-2-yl)quinolin-6-yl]-trimethylsilane

C47H43NOSi — CID 156675937

IUPAC[4-(4-tert-butyl-2,6-diphenylphenyl)-2-(4-methyldibenzofuran-2-yl)quinolin-6-yl]-trimethylsilane
SMILESCc1cc(-c2cc(-c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)c3cc([Si](C)(C)C)ccc3n2)cc2c1oc1ccccc12
InChIInChI=1S/C47H43NOSi/c1-30-24-33(25-41-36-20-14-15-21-44(36)49-46(30)41)43-29-40(39-28-35(50(5,6)7)22-23-42(39)48-43)45-37(31-16-10-8-11-17-31)26-34(47(2,3)4)27-38(45)32-18-12-9-13-19-32/h8-29H,1-7H3
InChIKeyLJTNNSJJJJJMRJ-UHFFFAOYSA-N
MW665.95 g/mol
LogP12.95
Rot. Bonds5

About [4-(4-tert-butyl-2,6-diphenylphenyl)-2-(4-methyldibenzofuran-2-yl)quinolin-6-yl]-trimethylsilane

[4-(4-tert-butyl-2,6-diphenylphenyl)-2-(4-methyldibenzofuran-2-yl)quinolin-6-yl]-trimethylsilane (PubChem CID 156675937) has the molecular formula C47H43NOSi and a molecular weight of 665.95 g/mol. Its IUPAC name is [4-(4-tert-butyl-2,6-diphenylphenyl)-2-(4-methyldibenzofuran-2-yl)quinolin-6-yl]-trimethylsilane.

Molecular Properties

Compound Name[4-(4-tert-butyl-2,6-diphenylphenyl)-2-(4-methyldibenzofuran-2-yl)quinolin-6-yl]-trimethylsilane
PubChem CID156675937
Molecular FormulaC47H43NOSi
Molecular Weight665.95 g/mol
Exact Mass665.31
IUPAC Name[4-(4-tert-butyl-2,6-diphenylphenyl)-2-(4-methyldibenzofuran-2-yl)quinolin-6-yl]-trimethylsilane
SMILESCc1cc(-c2cc(-c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)c3cc([Si](C)(C)C)ccc3n2)cc2c1oc1ccccc12
InChIInChI=1S/C47H43NOSi/c1-30-24-33(25-41-36-20-14-15-21-44(36)49-46(30)41)43-29-40(39-28-35(50(5,6)7)22-23-42(39)48-43)45-37(31-16-10-8-11-17-31)26-34(47(2,3)4)27-38(45)32-18-12-9-13-19-32/h8-29H,1-7H3
InChIKeyLJTNNSJJJJJMRJ-UHFFFAOYSA-N
XLogP12.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.95
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(4-tert-butyl-2,6-diphenylphenyl)-2-(4-methyldibenzofuran-2-yl)quinolin-6-yl]-trimethylsilane with MolForge

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Related Compounds

(2-dibenzofuran-2-yl-4-phenylquinolin-6-yl)-trimethylsilane
CID 156675686
trimethyl-[2-(4-methylnaphthalen-2-yl)-4-phenylquinolin-6-yl]silane
CID 156675844
3-(2-tert-butyldibenzofuran-4-yl)-1-phenylbenzo[f]quinoline
CID 140916344
2,4-ditert-butyl-6-[1-methyl-4-[2-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-4-yl]benzimidazol-2-yl]phenol
CID 140832469
(2-dibenzofuran-2-yl-6-phenylquinolin-4-yl)-trimethylsilane
CID 156675681
4-[3,5-bis(4-tert-butylphenyl)-4-methylphenyl]-6-dibenzofuran-3-yl-2-phenylpyrimidine
CID 167382084
2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine
CID 153287816
trimethyl-[4-(5-methyl-2-pyridinyl)dibenzofuran-2-yl]silane
CID 164796799
4-[3-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]dibenzofuran
CID 58273508
2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-6-methylphenol
CID 170524522
2-[3,5-bis(4-tert-butylphenyl)-4-methylphenyl]-4-dibenzofuran-3-yl-6-phenylpyrimidine
CID 167382095
[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-trimethylsilyldibenzofuran-2-yl]-trimethylsilane
CID 69098117

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butyl-2,6-diphenylphenyl)-2-(4-methyldibenzofuran-2-yl)quinolin-6-yl]-trimethylsilane?
The IUPAC name of [4-(4-tert-butyl-2,6-diphenylphenyl)-2-(4-methyldibenzofuran-2-yl)quinolin-6-yl]-trimethylsilane (CID 156675937) is [4-(4-tert-butyl-2,6-diphenylphenyl)-2-(4-methyldibenzofuran-2-yl)quinolin-6-yl]-trimethylsilane.
What is the SMILES notation for [4-(4-tert-butyl-2,6-diphenylphenyl)-2-(4-methyldibenzofuran-2-yl)quinolin-6-yl]-trimethylsilane?
The canonical SMILES for [4-(4-tert-butyl-2,6-diphenylphenyl)-2-(4-methyldibenzofuran-2-yl)quinolin-6-yl]-trimethylsilane is Cc1cc(-c2cc(-c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)c3cc([Si](C)(C)C)ccc3n2)cc2c1oc1ccccc12.
What is the InChIKey of [4-(4-tert-butyl-2,6-diphenylphenyl)-2-(4-methyldibenzofuran-2-yl)quinolin-6-yl]-trimethylsilane?
The InChIKey is LJTNNSJJJJJMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H43NOSi/c1-30-24-33(25-41-36-20-14-15-21-44(36)49-46(30)41)43-29-40(39-28-35(50(5,6)7)22-23-42(39)48-43)45-37(31-16-10-8-11-17-31)26-34(47(2,3)4)27-38(45)32-18-12-9-13-19-32/h8-29H,1-7H3.
What are the key properties of [4-(4-tert-butyl-2,6-diphenylphenyl)-2-(4-methyldibenzofuran-2-yl)quinolin-6-yl]-trimethylsilane?
[4-(4-tert-butyl-2,6-diphenylphenyl)-2-(4-methyldibenzofuran-2-yl)quinolin-6-yl]-trimethylsilane has a molecular weight of 665.95 g/mol, XLogP of 12.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butyl-2,6-diphenylphenyl)-2-(4-methyldibenzofuran-2-yl)quinolin-6-yl]-trimethylsilane is sourced from PubChem (CID 156675937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).