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

C111H78N6O3 — CID 162150643

IUPAC7-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
SMILESCC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21.CC1(C)c2ccc(-c3cccc4c3oc3ccccc34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21.CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c21
InChIInChI=1S/3C37H26N2O/c1-37(2)30-21-20-25(26-17-11-18-28-27-16-9-10-19-31(27)40-35(26)28)22-29(30)34-32(37)33(23-12-5-3-6-13-23)38-36(39-34)24-14-7-4-8-15-24;1-37(2)30-22-25(26-17-11-18-28-27-16-9-10-19-31(27)40-35(26)28)20-21-29(30)34-32(37)33(23-12-5-3-6-13-23)38-36(39-34)24-14-7-4-8-15-24;1-37(2)30-14-8-6-13-28(30)35-33(37)34(38-36(39-35)25-10-4-3-5-11-25)24-18-16-23(17-19-24)26-20-21-32-29(22-26)27-12-7-9-15-31(27)40-32/h3*3-22H,1-2H3
InChIKeyZLDURWPJAQHELP-UHFFFAOYSA-N
MW1543.88 g/mol
LogP29.05
Rot. Bonds9

About 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

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 (PubChem CID 162150643) has the molecular formula C111H78N6O3 and a molecular weight of 1543.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID162150643
Molecular FormulaC111H78N6O3
Molecular Weight1543.88 g/mol
Exact Mass1542.61
IUPAC Name7-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
SMILESCC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21.CC1(C)c2ccc(-c3cccc4c3oc3ccccc34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21.CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c21
InChIInChI=1S/3C37H26N2O/c1-37(2)30-21-20-25(26-17-11-18-28-27-16-9-10-19-31(27)40-35(26)28)22-29(30)34-32(37)33(23-12-5-3-6-13-23)38-36(39-34)24-14-7-4-8-15-24;1-37(2)30-22-25(26-17-11-18-28-27-16-9-10-19-31(27)40-35(26)28)20-21-29(30)34-32(37)33(23-12-5-3-6-13-23)38-36(39-34)24-14-7-4-8-15-24;1-37(2)30-14-8-6-13-28(30)35-33(37)34(38-36(39-35)25-10-4-3-5-11-25)24-18-16-23(17-19-24)26-20-21-32-29(22-26)27-12-7-9-15-31(27)40-32/h3*3-22H,1-2H3
InChIKeyZLDURWPJAQHELP-UHFFFAOYSA-N
XLogP29.05
TPSA116.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001543.88
LogP ≤ 529.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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-(4-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100260
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-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
CID 118100294
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 160795004
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-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine
CID 118476820
2-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121244814
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2,6-diphenylpyridine;4-[4-(9,9-dimethyl-6-naphthalen-1-ylfluoren-2-yl)phenyl]dibenzofuran;2-[9,9-dimethyl-7-(6-phenyldibenzofuran-2-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 159282220
2-(9,9-dimethylfluoren-2-yl)-4-[8-(9,9-dimethylfluoren-1-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 146651225
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21.CC1(C)c2ccc(-c3cccc4c3oc3ccccc34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21.CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c21.
What is the InChIKey of 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?
The InChIKey is ZLDURWPJAQHELP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C37H26N2O/c1-37(2)30-21-20-25(26-17-11-18-28-27-16-9-10-19-31(27)40-35(26)28)22-29(30)34-32(37)33(23-12-5-3-6-13-23)38-36(39-34)24-14-7-4-8-15-24;1-37(2)30-22-25(26-17-11-18-28-27-16-9-10-19-31(27)40-35(26)28)20-21-29(30)34-32(37)33(23-12-5-3-6-13-23)38-36(39-34)24-14-7-4-8-15-24;1-37(2)30-14-8-6-13-28(30)35-33(37)34(38-36(39-35)25-10-4-3-5-11-25)24-18-16-23(17-19-24)26-20-21-32-29(22-26)27-12-7-9-15-31(27)40-32/h3*3-22H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1543.88 g/mol, XLogP of 29.05, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162150643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).