4-dibenzofuran-4-yl-5,5-dimethyl-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine

C36H25N3O — CID 118100159

IUPAC4-dibenzofuran-4-yl-5,5-dimethyl-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2nc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc4c3oc3ccccc34)c21
InChIInChI=1S/C36H25N3O/c1-36(2)29-17-5-3-14-27(29)32-31(36)33(28-16-8-15-26-25-13-4-6-18-30(25)40-34(26)28)39-35(38-32)23-11-7-10-22(20-23)24-12-9-19-37-21-24/h3-21H,1-2H3
InChIKeyIMIOFZZAOMPOLJ-UHFFFAOYSA-N
MW515.62 g/mol
LogP9.08
Rot. Bonds3

About 4-dibenzofuran-4-yl-5,5-dimethyl-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine

4-dibenzofuran-4-yl-5,5-dimethyl-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine (PubChem CID 118100159) has the molecular formula C36H25N3O and a molecular weight of 515.62 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-5,5-dimethyl-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-5,5-dimethyl-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine
PubChem CID118100159
Molecular FormulaC36H25N3O
Molecular Weight515.62 g/mol
Exact Mass515.20
IUPAC Name4-dibenzofuran-4-yl-5,5-dimethyl-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2nc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc4c3oc3ccccc34)c21
InChIInChI=1S/C36H25N3O/c1-36(2)29-17-5-3-14-27(29)32-31(36)33(28-16-8-15-26-25-13-4-6-18-30(25)40-34(26)28)39-35(38-32)23-11-7-10-22(20-23)24-12-9-19-37-21-24/h3-21H,1-2H3
InChIKeyIMIOFZZAOMPOLJ-UHFFFAOYSA-N
XLogP9.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.62
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-4-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100266
2-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-(3-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100083
4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
CID 118100294
4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(4-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100260
5,5-dimethyl-4-[3-(3-phenanthren-9-ylphenyl)phenyl]-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100309
4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100265
2-(4-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine
CID 118100072
7-dibenzofuran-4-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;8-dibenzofuran-4-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(4-dibenzofuran-2-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
CID 162150643
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-1-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine
CID 160872263
7-dibenzofuran-4-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;8-dibenzofuran-4-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine
CID 159798811
2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-6-phenyl-1,3,5-triazine
CID 154950048
7-dibenzofuran-4-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine
CID 118476820

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-5,5-dimethyl-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine?
The IUPAC name of 4-dibenzofuran-4-yl-5,5-dimethyl-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine (CID 118100159) is 4-dibenzofuran-4-yl-5,5-dimethyl-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine.
What is the SMILES notation for 4-dibenzofuran-4-yl-5,5-dimethyl-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine?
The canonical SMILES for 4-dibenzofuran-4-yl-5,5-dimethyl-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine is CC1(C)c2ccccc2-c2nc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc4c3oc3ccccc34)c21.
What is the InChIKey of 4-dibenzofuran-4-yl-5,5-dimethyl-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine?
The InChIKey is IMIOFZZAOMPOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3O/c1-36(2)29-17-5-3-14-27(29)32-31(36)33(28-16-8-15-26-25-13-4-6-18-30(25)40-34(26)28)39-35(38-32)23-11-7-10-22(20-23)24-12-9-19-37-21-24/h3-21H,1-2H3.
What are the key properties of 4-dibenzofuran-4-yl-5,5-dimethyl-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine?
4-dibenzofuran-4-yl-5,5-dimethyl-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine has a molecular weight of 515.62 g/mol, XLogP of 9.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-5,5-dimethyl-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine is sourced from PubChem (CID 118100159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).