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

C36H25N3O — CID 118100072

IUPAC2-(4-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccccn3)c21
InChIInChI=1S/C36H25N3O/c1-36(2)28-14-5-3-11-27(28)32-31(36)33(29-15-7-8-21-37-29)39-35(38-32)23-19-17-22(18-20-23)24-12-9-13-26-25-10-4-6-16-30(25)40-34(24)26/h3-21H,1-2H3
InChIKeyCVMLXDCYBNRSER-UHFFFAOYSA-N
MW515.62 g/mol
LogP9.08
Rot. Bonds3

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

2-(4-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine (PubChem CID 118100072) has the molecular formula C36H25N3O and a molecular weight of 515.62 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine
PubChem CID118100072
Molecular FormulaC36H25N3O
Molecular Weight515.62 g/mol
Exact Mass515.20
IUPAC Name2-(4-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccccn3)c21
InChIInChI=1S/C36H25N3O/c1-36(2)28-14-5-3-11-27(28)32-31(36)33(29-15-7-8-21-37-29)39-35(38-32)23-19-17-22(18-20-23)24-12-9-13-26-25-10-4-6-16-30(25)40-34(24)26/h3-21H,1-2H3
InChIKeyCVMLXDCYBNRSER-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

Analyze 2-(4-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-dibenzofuran-4-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine
CID 118476820
4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100265
4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(4-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100260
4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
CID 118100294
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-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-(3-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100083
4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-4-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100266
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
4-dibenzofuran-4-yl-5,5-dimethyl-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100159
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine
CID 171585448
4-dibenzofuran-4-yl-5,5-dimethyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine
CID 118100161

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine?
The IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine (CID 118100072) is 2-(4-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine.
What is the SMILES notation for 2-(4-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine?
The canonical SMILES for 2-(4-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine is CC1(C)c2ccccc2-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccccn3)c21.
What is the InChIKey of 2-(4-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine?
The InChIKey is CVMLXDCYBNRSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3O/c1-36(2)28-14-5-3-11-27(28)32-31(36)33(29-15-7-8-21-37-29)39-35(38-32)23-19-17-22(18-20-23)24-12-9-13-26-25-10-4-6-16-30(25)40-34(24)26/h3-21H,1-2H3.
What are the key properties of 2-(4-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine?
2-(4-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-pyridin-2-ylindeno[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 2-(4-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine is sourced from PubChem (CID 118100072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).