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

C42H29N3O — CID 118100265

IUPAC4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2nc(-c3cccc(-c4ccccn4)c3)nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c21
InChIInChI=1S/C42H29N3O/c1-42(2)34-20-5-3-17-33(34)39-37(42)38(44-41(45-39)29-15-10-13-27(25-29)35-21-7-8-23-43-35)28-14-9-12-26(24-28)30-18-11-19-32-31-16-4-6-22-36(31)46-40(30)32/h3-25H,1-2H3
InChIKeyMOQVGTUSRQDSAO-UHFFFAOYSA-N
MW591.71 g/mol
LogP10.75
Rot. Bonds4

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

4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-d]pyrimidine (PubChem CID 118100265) has the molecular formula C42H29N3O and a molecular weight of 591.71 g/mol. Its IUPAC name is 4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-d]pyrimidine
PubChem CID118100265
Molecular FormulaC42H29N3O
Molecular Weight591.71 g/mol
Exact Mass591.23
IUPAC Name4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2nc(-c3cccc(-c4ccccn4)c3)nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c21
InChIInChI=1S/C42H29N3O/c1-42(2)34-20-5-3-17-33(34)39-37(42)38(44-41(45-39)29-15-10-13-27(25-29)35-21-7-8-23-43-35)28-14-9-12-26(24-28)30-18-11-19-32-31-16-4-6-22-36(31)46-40(30)32/h3-25H,1-2H3
InChIKeyMOQVGTUSRQDSAO-UHFFFAOYSA-N
XLogP10.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.71
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

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-(3-pyridin-4-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100266
2-(4-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine
CID 118100072
4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(4-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100260
7-dibenzofuran-4-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine
CID 118476820
4-dibenzofuran-4-yl-5,5-dimethyl-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100159
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
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-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261958
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-(3-carbazol-9-ylphenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine;2-(3-carbazol-9-ylphenyl)-5,5-dimethyl-4-(3-phenylphenyl)indeno[1,2-d]pyrimidine;2-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine;2-(3-dibenzothiophen-4-ylphenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine
CID 159915916

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-d]pyrimidine?
The IUPAC name of 4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-d]pyrimidine (CID 118100265) is 4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-d]pyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-d]pyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-d]pyrimidine is CC1(C)c2ccccc2-c2nc(-c3cccc(-c4ccccn4)c3)nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c21.
What is the InChIKey of 4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-d]pyrimidine?
The InChIKey is MOQVGTUSRQDSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3O/c1-42(2)34-20-5-3-17-33(34)39-37(42)38(44-41(45-39)29-15-10-13-27(25-29)35-21-7-8-23-43-35)28-14-9-12-26(24-28)30-18-11-19-32-31-16-4-6-22-36(31)46-40(30)32/h3-25H,1-2H3.
What are the key properties of 4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-d]pyrimidine?
4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-d]pyrimidine has a molecular weight of 591.71 g/mol, XLogP of 10.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-d]pyrimidine is sourced from PubChem (CID 118100265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).