2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)dibenzofuran-4-yl]-2-pyridinyl]phenol

C46H29N3O2 — CID 169318154

IUPAC2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)dibenzofuran-4-yl]-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)cc(-c2cc(-c3nc4c5ccccc5ccn4c3-c3ccccc3)cc3c2oc2ccccc23)n1
InChIInChI=1S/C46H29N3O2/c50-41-21-11-9-20-36(41)39-27-32(29-13-3-1-4-14-29)28-40(47-39)38-26-33(25-37-35-19-10-12-22-42(35)51-45(37)38)43-44(31-16-5-2-6-17-31)49-24-23-30-15-7-8-18-34(30)46(49)48-43/h1-28,50H
InChIKeyPSMAAIVFPRJNLM-UHFFFAOYSA-N
MW655.76 g/mol
LogP11.82
Rot. Bonds5

About 2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)dibenzofuran-4-yl]-2-pyridinyl]phenol

2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)dibenzofuran-4-yl]-2-pyridinyl]phenol (PubChem CID 169318154) has the molecular formula C46H29N3O2 and a molecular weight of 655.76 g/mol. Its IUPAC name is 2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)dibenzofuran-4-yl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)dibenzofuran-4-yl]-2-pyridinyl]phenol
PubChem CID169318154
Molecular FormulaC46H29N3O2
Molecular Weight655.76 g/mol
Exact Mass655.23
IUPAC Name2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)dibenzofuran-4-yl]-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)cc(-c2cc(-c3nc4c5ccccc5ccn4c3-c3ccccc3)cc3c2oc2ccccc23)n1
InChIInChI=1S/C46H29N3O2/c50-41-21-11-9-20-36(41)39-27-32(29-13-3-1-4-14-29)28-40(47-39)38-26-33(25-37-35-19-10-12-22-42(35)51-45(37)38)43-44(31-16-5-2-6-17-31)49-24-23-30-15-7-8-18-34(30)46(49)48-43/h1-28,50H
InChIKeyPSMAAIVFPRJNLM-UHFFFAOYSA-N
XLogP11.82
TPSA63.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.76
LogP ≤ 511.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum
CID 169318153
2-[4-(2-methylphenyl)-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum
CID 169318232
2-[4-phenyl-6-[2-(3-phenyl-7-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum
CID 169318038
2-(4-bromodibenzofuran-2-yl)-3-iodoimidazo[2,1-a]isoquinoline
CID 163935880
2-[6-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol
CID 170524324
2,4-diphenyl-6-[3-phenyl-5-(4-phenyldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 146369018
4-dibenzofuran-3-yl-2-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)pyrimidine
CID 167144260
2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylimidazol-2-yl]phenol
CID 171420164
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 171585257
2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 155481098
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-(2,5-diphenylphenyl)-2-phenylpyrimidine
CID 171585617
4,6-bis[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4,6-bis[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 159701721

Frequently Asked Questions

What is the IUPAC name of 2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)dibenzofuran-4-yl]-2-pyridinyl]phenol?
The IUPAC name of 2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)dibenzofuran-4-yl]-2-pyridinyl]phenol (CID 169318154) is 2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)dibenzofuran-4-yl]-2-pyridinyl]phenol.
What is the SMILES notation for 2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)dibenzofuran-4-yl]-2-pyridinyl]phenol?
The canonical SMILES for 2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)dibenzofuran-4-yl]-2-pyridinyl]phenol is Oc1ccccc1-c1cc(-c2ccccc2)cc(-c2cc(-c3nc4c5ccccc5ccn4c3-c3ccccc3)cc3c2oc2ccccc23)n1.
What is the InChIKey of 2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)dibenzofuran-4-yl]-2-pyridinyl]phenol?
The InChIKey is PSMAAIVFPRJNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O2/c50-41-21-11-9-20-36(41)39-27-32(29-13-3-1-4-14-29)28-40(47-39)38-26-33(25-37-35-19-10-12-22-42(35)51-45(37)38)43-44(31-16-5-2-6-17-31)49-24-23-30-15-7-8-18-34(30)46(49)48-43/h1-28,50H.
What are the key properties of 2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)dibenzofuran-4-yl]-2-pyridinyl]phenol?
2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)dibenzofuran-4-yl]-2-pyridinyl]phenol has a molecular weight of 655.76 g/mol, XLogP of 11.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)dibenzofuran-4-yl]-2-pyridinyl]phenol is sourced from PubChem (CID 169318154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).