3-[2-(2-methylpropyl)dibenzofuran-4-yl]benzo[f]quinoline

C29H23NO — CID 140916453

IUPAC3-[2-(2-methylpropyl)dibenzofuran-4-yl]benzo[f]quinoline
SMILESCC(C)Cc1cc(-c2ccc3c(ccc4ccccc43)n2)c2oc3ccccc3c2c1
InChIInChI=1S/C29H23NO/c1-18(2)15-19-16-24-23-9-5-6-10-28(23)31-29(24)25(17-19)27-14-12-22-21-8-4-3-7-20(21)11-13-26(22)30-27/h3-14,16-18H,15H2,1-2H3
InChIKeyCYCABGNLXRSLKK-UHFFFAOYSA-N
MW401.51 g/mol
LogP8.15
Rot. Bonds3

About 3-[2-(2-methylpropyl)dibenzofuran-4-yl]benzo[f]quinoline

3-[2-(2-methylpropyl)dibenzofuran-4-yl]benzo[f]quinoline (PubChem CID 140916453) has the molecular formula C29H23NO and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-[2-(2-methylpropyl)dibenzofuran-4-yl]benzo[f]quinoline.

Molecular Properties

Compound Name3-[2-(2-methylpropyl)dibenzofuran-4-yl]benzo[f]quinoline
PubChem CID140916453
Molecular FormulaC29H23NO
Molecular Weight401.51 g/mol
Exact Mass401.18
IUPAC Name3-[2-(2-methylpropyl)dibenzofuran-4-yl]benzo[f]quinoline
SMILESCC(C)Cc1cc(-c2ccc3c(ccc4ccccc43)n2)c2oc3ccccc3c2c1
InChIInChI=1S/C29H23NO/c1-18(2)15-19-16-24-23-9-5-6-10-28(23)31-29(24)25(17-19)27-14-12-22-21-8-4-3-7-20(21)11-13-26(22)30-27/h3-14,16-18H,15H2,1-2H3
InChIKeyCYCABGNLXRSLKK-UHFFFAOYSA-N
XLogP8.15
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 58.15
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-fluoro-2-(2-methyldibenzofuran-4-yl)-4-(2-methylpropyl)quinoline
CID 162494248
4-bromo-2-(2-methylpropyl)dibenzofuran
CID 166913108
6-cyclopentyl-1-[2-(2-methylpropyl)dibenzofuran-4-yl]isoquinoline
CID 166913046
3-(2-tert-butyldibenzofuran-4-yl)-1-phenylbenzo[f]quinoline
CID 140916344
2-(2-methylpropyl)dibenzofuran
CID 59877560
3-naphthalen-1-ylbenzo[f]quinoline
CID 59470281
3-[5-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-f]quinoline
CID 138739098
4-dibenzofuran-4-yl-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline
CID 162692524
2-(2-propan-2-yldibenzofuran-4-yl)pyridine
CID 156686806
6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2-methylpropyl)naphtho[2,1-b][1]benzofuran
CID 123603110
5-(2-methylpropyl)-2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol
CID 140833103
3-(2-methyl-5-phenylphenyl)benzo[f]quinoline
CID 122666731

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpropyl)dibenzofuran-4-yl]benzo[f]quinoline?
The IUPAC name of 3-[2-(2-methylpropyl)dibenzofuran-4-yl]benzo[f]quinoline (CID 140916453) is 3-[2-(2-methylpropyl)dibenzofuran-4-yl]benzo[f]quinoline.
What is the SMILES notation for 3-[2-(2-methylpropyl)dibenzofuran-4-yl]benzo[f]quinoline?
The canonical SMILES for 3-[2-(2-methylpropyl)dibenzofuran-4-yl]benzo[f]quinoline is CC(C)Cc1cc(-c2ccc3c(ccc4ccccc43)n2)c2oc3ccccc3c2c1.
What is the InChIKey of 3-[2-(2-methylpropyl)dibenzofuran-4-yl]benzo[f]quinoline?
The InChIKey is CYCABGNLXRSLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO/c1-18(2)15-19-16-24-23-9-5-6-10-28(23)31-29(24)25(17-19)27-14-12-22-21-8-4-3-7-20(21)11-13-26(22)30-27/h3-14,16-18H,15H2,1-2H3.
What are the key properties of 3-[2-(2-methylpropyl)dibenzofuran-4-yl]benzo[f]quinoline?
3-[2-(2-methylpropyl)dibenzofuran-4-yl]benzo[f]quinoline has a molecular weight of 401.51 g/mol, XLogP of 8.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpropyl)dibenzofuran-4-yl]benzo[f]quinoline is sourced from PubChem (CID 140916453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).