6-tert-butyl-8-(1-phenylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine

C34H26N2O — CID 140916361

IUPAC6-tert-butyl-8-(1-phenylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCC(C)(C)c1cc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)c2oc3ncccc3c2c1
InChIInChI=1S/C34H26N2O/c1-34(2,3)23-18-27-25-14-9-17-35-33(25)37-32(27)28(19-23)30-20-26(21-10-5-4-6-11-21)31-24-13-8-7-12-22(24)15-16-29(31)36-30/h4-20H,1-3H3
InChIKeyPSCKONMYWJZGOR-UHFFFAOYSA-N
MW478.60 g/mol
LogP9.31
Rot. Bonds2

About 6-tert-butyl-8-(1-phenylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine

6-tert-butyl-8-(1-phenylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 140916361) has the molecular formula C34H26N2O and a molecular weight of 478.60 g/mol. Its IUPAC name is 6-tert-butyl-8-(1-phenylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name6-tert-butyl-8-(1-phenylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine
PubChem CID140916361
Molecular FormulaC34H26N2O
Molecular Weight478.60 g/mol
Exact Mass478.20
IUPAC Name6-tert-butyl-8-(1-phenylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCC(C)(C)c1cc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)c2oc3ncccc3c2c1
InChIInChI=1S/C34H26N2O/c1-34(2,3)23-18-27-25-14-9-17-35-33(25)37-32(27)28(19-23)30-20-26(21-10-5-4-6-11-21)31-24-13-8-7-12-22(24)15-16-29(31)36-30/h4-20H,1-3H3
InChIKeyPSCKONMYWJZGOR-UHFFFAOYSA-N
XLogP9.31
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(6-tert-butyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[f]quinolin-1-yl]-trimethylgermane
CID 140916532
3-(2-tert-butyldibenzofuran-4-yl)-1-phenylbenzo[f]quinoline
CID 140916344
8-(1-cyclopentylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine
CID 140916393
2-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline
CID 138643771
1-phenyl-3-pyridin-3-ylbenzo[f]quinoline
CID 2248804
1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride
CID 53347208
5-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 138644043
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-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 138644076
N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 168738216

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-8-(1-phenylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 6-tert-butyl-8-(1-phenylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine (CID 140916361) is 6-tert-butyl-8-(1-phenylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 6-tert-butyl-8-(1-phenylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 6-tert-butyl-8-(1-phenylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine is CC(C)(C)c1cc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)c2oc3ncccc3c2c1.
What is the InChIKey of 6-tert-butyl-8-(1-phenylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is PSCKONMYWJZGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2O/c1-34(2,3)23-18-27-25-14-9-17-35-33(25)37-32(27)28(19-23)30-20-26(21-10-5-4-6-11-21)31-24-13-8-7-12-22(24)15-16-29(31)36-30/h4-20H,1-3H3.
What are the key properties of 6-tert-butyl-8-(1-phenylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine?
6-tert-butyl-8-(1-phenylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 478.60 g/mol, XLogP of 9.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-8-(1-phenylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 140916361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).