3-(2-tert-butyldibenzofuran-4-yl)-1-phenylbenzo[f]quinoline

C35H27NO — CID 140916344

IUPAC3-(2-tert-butyldibenzofuran-4-yl)-1-phenylbenzo[f]quinoline
SMILESCC(C)(C)c1cc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)c2oc3ccccc3c2c1
InChIInChI=1S/C35H27NO/c1-35(2,3)24-19-28-26-15-9-10-16-32(26)37-34(28)29(20-24)31-21-27(22-11-5-4-6-12-22)33-25-14-8-7-13-23(25)17-18-30(33)36-31/h4-21H,1-3H3
InChIKeyGXFFMOHTKOZAQE-UHFFFAOYSA-N
MW477.61 g/mol
LogP9.92
Rot. Bonds2

About 3-(2-tert-butyldibenzofuran-4-yl)-1-phenylbenzo[f]quinoline

3-(2-tert-butyldibenzofuran-4-yl)-1-phenylbenzo[f]quinoline (PubChem CID 140916344) has the molecular formula C35H27NO and a molecular weight of 477.61 g/mol. Its IUPAC name is 3-(2-tert-butyldibenzofuran-4-yl)-1-phenylbenzo[f]quinoline.

Molecular Properties

Compound Name3-(2-tert-butyldibenzofuran-4-yl)-1-phenylbenzo[f]quinoline
PubChem CID140916344
Molecular FormulaC35H27NO
Molecular Weight477.61 g/mol
Exact Mass477.21
IUPAC Name3-(2-tert-butyldibenzofuran-4-yl)-1-phenylbenzo[f]quinoline
SMILESCC(C)(C)c1cc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)c2oc3ccccc3c2c1
InChIInChI=1S/C35H27NO/c1-35(2,3)24-19-28-26-15-9-10-16-32(26)37-34(28)29(20-24)31-21-27(22-11-5-4-6-12-22)33-25-14-8-7-13-23(25)17-18-30(33)36-31/h4-21H,1-3H3
InChIKeyGXFFMOHTKOZAQE-UHFFFAOYSA-N
XLogP9.92
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-tert-butyl-8-(1-phenylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine
CID 140916361
[3-(6-tert-butyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[f]quinolin-1-yl]-trimethylgermane
CID 140916532
[4-(4-tert-butyl-2,6-diphenylphenyl)-2-(4-methyldibenzofuran-2-yl)quinolin-6-yl]-trimethylsilane
CID 156675937
1-(1-benzofuran-2-yl)-3-phenylbenzo[f]quinoline
CID 15271371
1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride
CID 53347208
4-[3-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]dibenzofuran
CID 58273508
3-[2-(2-methylpropyl)dibenzofuran-4-yl]benzo[f]quinoline
CID 140916453
2-(4-tert-butylphenyl)-4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazine
CID 169278969
1-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311
3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline
CID 17202000
4-(12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-yl)-2-phenylpyridine
CID 164802757
4-[7-tert-butyl-3-(4-phenylphenyl)pyren-1-yl]dibenzofuran;ethane
CID 145470011

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyldibenzofuran-4-yl)-1-phenylbenzo[f]quinoline?
The IUPAC name of 3-(2-tert-butyldibenzofuran-4-yl)-1-phenylbenzo[f]quinoline (CID 140916344) is 3-(2-tert-butyldibenzofuran-4-yl)-1-phenylbenzo[f]quinoline.
What is the SMILES notation for 3-(2-tert-butyldibenzofuran-4-yl)-1-phenylbenzo[f]quinoline?
The canonical SMILES for 3-(2-tert-butyldibenzofuran-4-yl)-1-phenylbenzo[f]quinoline is CC(C)(C)c1cc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)c2oc3ccccc3c2c1.
What is the InChIKey of 3-(2-tert-butyldibenzofuran-4-yl)-1-phenylbenzo[f]quinoline?
The InChIKey is GXFFMOHTKOZAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27NO/c1-35(2,3)24-19-28-26-15-9-10-16-32(26)37-34(28)29(20-24)31-21-27(22-11-5-4-6-12-22)33-25-14-8-7-13-23(25)17-18-30(33)36-31/h4-21H,1-3H3.
What are the key properties of 3-(2-tert-butyldibenzofuran-4-yl)-1-phenylbenzo[f]quinoline?
3-(2-tert-butyldibenzofuran-4-yl)-1-phenylbenzo[f]quinoline has a molecular weight of 477.61 g/mol, XLogP of 9.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyldibenzofuran-4-yl)-1-phenylbenzo[f]quinoline is sourced from PubChem (CID 140916344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).