2-(4-dibenzofuran-4-ylphenyl)-4-(3,5-dipyridin-2-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidine

C47H32N4O — CID 118100071

IUPAC2-(4-dibenzofuran-4-ylphenyl)-4-(3,5-dipyridin-2-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c21
InChIInChI=1S/C47H32N4O/c1-47(2)38-16-5-3-13-37(38)44-42(47)43(33-27-31(39-17-7-9-24-48-39)26-32(28-33)40-18-8-10-25-49-40)50-46(51-44)30-22-20-29(21-23-30)34-14-11-15-36-35-12-4-6-19-41(35)52-45(34)36/h3-28H,1-2H3
InChIKeyPAWZNAIXHYLAAQ-UHFFFAOYSA-N
MW668.80 g/mol
LogP11.81
Rot. Bonds5

About 2-(4-dibenzofuran-4-ylphenyl)-4-(3,5-dipyridin-2-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidine

2-(4-dibenzofuran-4-ylphenyl)-4-(3,5-dipyridin-2-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidine (PubChem CID 118100071) has the molecular formula C47H32N4O and a molecular weight of 668.80 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylphenyl)-4-(3,5-dipyridin-2-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-ylphenyl)-4-(3,5-dipyridin-2-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidine
PubChem CID118100071
Molecular FormulaC47H32N4O
Molecular Weight668.80 g/mol
Exact Mass668.26
IUPAC Name2-(4-dibenzofuran-4-ylphenyl)-4-(3,5-dipyridin-2-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c21
InChIInChI=1S/C47H32N4O/c1-47(2)38-16-5-3-13-37(38)44-42(47)43(33-27-31(39-17-7-9-24-48-39)26-32(28-33)40-18-8-10-25-49-40)50-46(51-44)30-22-20-29(21-23-30)34-14-11-15-36-35-12-4-6-19-41(35)52-45(34)36/h3-28H,1-2H3
InChIKeyPAWZNAIXHYLAAQ-UHFFFAOYSA-N
XLogP11.81
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.80
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-dibenzofuran-4-ylphenyl)-4-(3,5-dipyridin-2-ylphenyl)-5,5-dimethylindeno[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

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-4-(3,5-dipyridin-2-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidine?
The IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-4-(3,5-dipyridin-2-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidine (CID 118100071) is 2-(4-dibenzofuran-4-ylphenyl)-4-(3,5-dipyridin-2-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidine.
What is the SMILES notation for 2-(4-dibenzofuran-4-ylphenyl)-4-(3,5-dipyridin-2-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidine?
The canonical SMILES for 2-(4-dibenzofuran-4-ylphenyl)-4-(3,5-dipyridin-2-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidine is CC1(C)c2ccccc2-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c21.
What is the InChIKey of 2-(4-dibenzofuran-4-ylphenyl)-4-(3,5-dipyridin-2-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidine?
The InChIKey is PAWZNAIXHYLAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4O/c1-47(2)38-16-5-3-13-37(38)44-42(47)43(33-27-31(39-17-7-9-24-48-39)26-32(28-33)40-18-8-10-25-49-40)50-46(51-44)30-22-20-29(21-23-30)34-14-11-15-36-35-12-4-6-19-41(35)52-45(34)36/h3-28H,1-2H3.
What are the key properties of 2-(4-dibenzofuran-4-ylphenyl)-4-(3,5-dipyridin-2-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidine?
2-(4-dibenzofuran-4-ylphenyl)-4-(3,5-dipyridin-2-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidine has a molecular weight of 668.80 g/mol, XLogP of 11.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-4-ylphenyl)-4-(3,5-dipyridin-2-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidine is sourced from PubChem (CID 118100071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).