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

C74H52N4O2 — CID 159798811

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
SMILESCC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21.CC1(C)c2ccc(-c3cccc4c3oc3ccccc34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21
InChIInChI=1S/2C37H26N2O/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/h2*3-22H,1-2H3
InChIKeyNJNCAQDSTWXOET-UHFFFAOYSA-N
MW1029.26 g/mol
LogP19.37
Rot. Bonds6

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

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 (PubChem CID 159798811) has the molecular formula C74H52N4O2 and a molecular weight of 1029.26 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.

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
PubChem CID159798811
Molecular FormulaC74H52N4O2
Molecular Weight1029.26 g/mol
Exact Mass1028.41
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
SMILESCC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21.CC1(C)c2ccc(-c3cccc4c3oc3ccccc34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21
InChIInChI=1S/2C37H26N2O/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/h2*3-22H,1-2H3
InChIKeyNJNCAQDSTWXOET-UHFFFAOYSA-N
XLogP19.37
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.26
LogP ≤ 519.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 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;4-(4-dibenzofuran-2-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
CID 162150643
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-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine
CID 118476820
2-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-(3-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100083
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-(4-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine
CID 118100072
4-dibenzofuran-4-yl-6-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168779102
4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100265
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-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-4-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100266
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?
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 (CID 159798811) 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.
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?
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 is CC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21.CC1(C)c2ccc(-c3cccc4c3oc3ccccc34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)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?
The InChIKey is NJNCAQDSTWXOET-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H26N2O/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/h2*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?
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 has a molecular weight of 1029.26 g/mol, XLogP of 19.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 159798811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).