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

C43H30N2O — CID 118100260

IUPAC4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(4-phenylphenyl)indeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c21
InChIInChI=1S/C43H30N2O/c1-43(2)36-20-8-6-17-35(36)40-38(43)39(44-42(45-40)29-24-22-28(23-25-29)27-12-4-3-5-13-27)31-15-10-14-30(26-31)32-18-11-19-34-33-16-7-9-21-37(33)46-41(32)34/h3-26H,1-2H3
InChIKeyQNDXMKKBUKUGSA-UHFFFAOYSA-N
MW590.73 g/mol
LogP11.35
Rot. Bonds4

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

4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(4-phenylphenyl)indeno[1,2-d]pyrimidine (PubChem CID 118100260) has the molecular formula C43H30N2O and a molecular weight of 590.73 g/mol. Its IUPAC name is 4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(4-phenylphenyl)indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(4-phenylphenyl)indeno[1,2-d]pyrimidine
PubChem CID118100260
Molecular FormulaC43H30N2O
Molecular Weight590.73 g/mol
Exact Mass590.24
IUPAC Name4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(4-phenylphenyl)indeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c21
InChIInChI=1S/C43H30N2O/c1-43(2)36-20-8-6-17-35(36)40-38(43)39(44-42(45-40)29-24-22-28(23-25-29)27-12-4-3-5-13-27)31-15-10-14-30(26-31)32-18-11-19-34-33-16-7-9-21-37(33)46-41(32)34/h3-26H,1-2H3
InChIKeyQNDXMKKBUKUGSA-UHFFFAOYSA-N
XLogP11.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
CID 118100294
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
CID 159798811
4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100265
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
7-dibenzofuran-4-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine
CID 118476820
2-(4-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine
CID 118100072
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine
CID 171585448
4-(3-dibenzofuran-2-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;5,5-dimethyl-8-(4-naphthalen-2-ylphenyl)-2,4-diphenylindeno[1,2-d]pyrimidine;5,5-dimethyl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine
CID 157250240
4-dibenzofuran-4-yl-5,5-dimethyl-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100159
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585086

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(4-phenylphenyl)indeno[1,2-d]pyrimidine?
The IUPAC name of 4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(4-phenylphenyl)indeno[1,2-d]pyrimidine (CID 118100260) is 4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(4-phenylphenyl)indeno[1,2-d]pyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(4-phenylphenyl)indeno[1,2-d]pyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(4-phenylphenyl)indeno[1,2-d]pyrimidine is CC1(C)c2ccccc2-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c21.
What is the InChIKey of 4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(4-phenylphenyl)indeno[1,2-d]pyrimidine?
The InChIKey is QNDXMKKBUKUGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O/c1-43(2)36-20-8-6-17-35(36)40-38(43)39(44-42(45-40)29-24-22-28(23-25-29)27-12-4-3-5-13-27)31-15-10-14-30(26-31)32-18-11-19-34-33-16-7-9-21-37(33)46-41(32)34/h3-26H,1-2H3.
What are the key properties of 4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(4-phenylphenyl)indeno[1,2-d]pyrimidine?
4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(4-phenylphenyl)indeno[1,2-d]pyrimidine has a molecular weight of 590.73 g/mol, XLogP of 11.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(4-phenylphenyl)indeno[1,2-d]pyrimidine is sourced from PubChem (CID 118100260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).