2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine

C40H28N2O — CID 166591220

IUPAC2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1c(-c2ccc(-c4nc5ccccn5c4-c4ccccc4)cc2)cccc13
InChIInChI=1S/C40H28N2O/c1-40(2)33-16-7-6-13-29(33)31-23-32-30-15-10-14-28(39(30)43-35(32)24-34(31)40)25-18-20-26(21-19-25)37-38(27-11-4-3-5-12-27)42-22-9-8-17-36(42)41-37/h3-24H,1-2H3
InChIKeyKGNBEESQYDOIFV-UHFFFAOYSA-N
MW552.68 g/mol
LogP10.54
Rot. Bonds3

About 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine

2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine (PubChem CID 166591220) has the molecular formula C40H28N2O and a molecular weight of 552.68 g/mol. Its IUPAC name is 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine
PubChem CID166591220
Molecular FormulaC40H28N2O
Molecular Weight552.68 g/mol
Exact Mass552.22
IUPAC Name2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1c(-c2ccc(-c4nc5ccccn5c4-c4ccccc4)cc2)cccc13
InChIInChI=1S/C40H28N2O/c1-40(2)33-16-7-6-13-29(33)31-23-32-30-15-10-14-28(39(30)43-35(32)24-34(31)40)25-18-20-26(21-19-25)37-38(27-11-4-3-5-12-27)42-22-9-8-17-36(42)41-37/h3-24H,1-2H3
InChIKeyKGNBEESQYDOIFV-UHFFFAOYSA-N
XLogP10.54
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.68
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine with MolForge

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Related Compounds

7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran
CID 158538604
4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 140907204
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 130233245
2-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-3-phenylimidazo[1,2-a]pyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-3-phenylimidazo[1,2-a]pyridine;2-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-3-phenylimidazo[1,2-a]pyridine;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 165048157
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159465808
2,3,5-triphenyl-6-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)dibenzofuran-4-yl]pyrazine
CID 166902274
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 167349260
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651128
4-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584080
2-dibenzofuran-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797844
2-[3-[6-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121244824

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine (CID 166591220) is 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine is CC1(C)c2ccccc2-c2cc3c(cc21)oc1c(-c2ccc(-c4nc5ccccn5c4-c4ccccc4)cc2)cccc13.
What is the InChIKey of 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine?
The InChIKey is KGNBEESQYDOIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2O/c1-40(2)33-16-7-6-13-29(33)31-23-32-30-15-10-14-28(39(30)43-35(32)24-34(31)40)25-18-20-26(21-19-25)37-38(27-11-4-3-5-12-27)42-22-9-8-17-36(42)41-37/h3-24H,1-2H3.
What are the key properties of 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine?
2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine has a molecular weight of 552.68 g/mol, XLogP of 10.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 166591220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).