2-(7-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline

C29H18FN3O — CID 164826973

IUPAC2-(7-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline
SMILESCc1nc2ccccc2c2c1nc(-c1cccc3c1oc1cc(F)ccc13)n2-c1ccccc1
InChIInChI=1S/C29H18FN3O/c1-17-26-27(22-10-5-6-13-24(22)31-17)33(19-8-3-2-4-9-19)29(32-26)23-12-7-11-21-20-15-14-18(30)16-25(20)34-28(21)23/h2-16H,1H3
InChIKeyXYWMRHBIVRIYOF-UHFFFAOYSA-N
MW443.48 g/mol
LogP7.59
Rot. Bonds2

About 2-(7-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline

2-(7-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline (PubChem CID 164826973) has the molecular formula C29H18FN3O and a molecular weight of 443.48 g/mol. Its IUPAC name is 2-(7-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-(7-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline
PubChem CID164826973
Molecular FormulaC29H18FN3O
Molecular Weight443.48 g/mol
Exact Mass443.14
IUPAC Name2-(7-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline
SMILESCc1nc2ccccc2c2c1nc(-c1cccc3c1oc1cc(F)ccc13)n2-c1ccccc1
InChIInChI=1S/C29H18FN3O/c1-17-26-27(22-10-5-6-13-24(22)31-17)33(19-8-3-2-4-9-19)29(32-26)23-12-7-11-21-20-15-14-18(30)16-25(20)34-28(21)23/h2-16H,1H3
InChIKeyXYWMRHBIVRIYOF-UHFFFAOYSA-N
XLogP7.59
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.48
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-b]quinoxaline
CID 164826444
2-(1-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline
CID 164826690
2-(7-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine
CID 164827019
[6-(4,6-dimethyl-3-phenylimidazo[4,5-c]pyridin-2-yl)dibenzofuran-3-yl]-trimethylgermane
CID 164824338
trimethyl-[6-(7-methyl-1-phenylimidazo[4,5-c]pyridin-2-yl)dibenzofuran-3-yl]silane
CID 164826478
1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluorodibenzofuran-4-yl)benzo[e]benzimidazole
CID 162776925
4,6-dimethyl-2-naphtho[1,2-b][1]benzofuran-10-yl-3-phenylimidazo[4,5-c]pyridine
CID 164824756
3-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]quinoline
CID 164825385
2-dibenzofuran-4-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthro[9,10-d]imidazole
CID 126500681
2-methyl-8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-c]pyridin-2-ium
CID 176644026
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-3-phenylimidazo[4,5-c]isoquinoline
CID 164824655
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-phenylimidazo[4,5-c]isoquinoline
CID 164824328

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline?
The IUPAC name of 2-(7-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline (CID 164826973) is 2-(7-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline.
What is the SMILES notation for 2-(7-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline?
The canonical SMILES for 2-(7-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline is Cc1nc2ccccc2c2c1nc(-c1cccc3c1oc1cc(F)ccc13)n2-c1ccccc1.
What is the InChIKey of 2-(7-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline?
The InChIKey is XYWMRHBIVRIYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18FN3O/c1-17-26-27(22-10-5-6-13-24(22)31-17)33(19-8-3-2-4-9-19)29(32-26)23-12-7-11-21-20-15-14-18(30)16-25(20)34-28(21)23/h2-16H,1H3.
What are the key properties of 2-(7-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline?
2-(7-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline has a molecular weight of 443.48 g/mol, XLogP of 7.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline is sourced from PubChem (CID 164826973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).