5-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)-1,3,4-triphenylbenzo[g]indazole

C51H32N4O — CID 170441316

IUPAC5-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)-1,3,4-triphenylbenzo[g]indazole
SMILESc1ccc(-c2nc(-c3c(-c4ccccc4)c4c(-c5ccccc5)nn(-c5ccccc5)c4c4ccccc34)cc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C51H32N4O/c1-5-18-33(19-6-1)45-47(37-26-13-14-27-38(37)50-48(45)49(34-20-7-2-8-21-34)54-55(50)36-24-11-4-12-25-36)42-32-41(52-51(53-42)35-22-9-3-10-23-35)39-29-17-31-44-46(39)40-28-15-16-30-43(40)56-44/h1-32H
InChIKeyCZIWPRJKNXBQSJ-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.20
Rot. Bonds6

About 5-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)-1,3,4-triphenylbenzo[g]indazole

5-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)-1,3,4-triphenylbenzo[g]indazole (PubChem CID 170441316) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 5-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)-1,3,4-triphenylbenzo[g]indazole.

Molecular Properties

Compound Name5-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)-1,3,4-triphenylbenzo[g]indazole
PubChem CID170441316
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name5-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)-1,3,4-triphenylbenzo[g]indazole
SMILESc1ccc(-c2nc(-c3c(-c4ccccc4)c4c(-c5ccccc5)nn(-c5ccccc5)c4c4ccccc34)cc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C51H32N4O/c1-5-18-33(19-6-1)45-47(37-26-13-14-27-38(37)50-48(45)49(34-20-7-2-8-21-34)54-55(50)36-24-11-4-12-25-36)42-32-41(52-51(53-42)35-22-9-3-10-23-35)39-29-17-31-44-46(39)40-28-15-16-30-43(40)56-44/h1-32H
InChIKeyCZIWPRJKNXBQSJ-UHFFFAOYSA-N
XLogP13.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 164927902
4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 176632187
6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole
CID 170441483
4-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[g]indazole
CID 170441244
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121460855
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 139304376
4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 139304966
4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 139304968
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
CID 171585490
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
4-dibenzofuran-1-yl-2-naphthalen-2-yl-6-(3-phenyldibenzofuran-1-yl)pyrimidine
CID 174327806
3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole
CID 170441150

Frequently Asked Questions

What is the IUPAC name of 5-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)-1,3,4-triphenylbenzo[g]indazole?
The IUPAC name of 5-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)-1,3,4-triphenylbenzo[g]indazole (CID 170441316) is 5-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)-1,3,4-triphenylbenzo[g]indazole.
What is the SMILES notation for 5-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)-1,3,4-triphenylbenzo[g]indazole?
The canonical SMILES for 5-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)-1,3,4-triphenylbenzo[g]indazole is c1ccc(-c2nc(-c3c(-c4ccccc4)c4c(-c5ccccc5)nn(-c5ccccc5)c4c4ccccc34)cc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 5-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)-1,3,4-triphenylbenzo[g]indazole?
The InChIKey is CZIWPRJKNXBQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-5-18-33(19-6-1)45-47(37-26-13-14-27-38(37)50-48(45)49(34-20-7-2-8-21-34)54-55(50)36-24-11-4-12-25-36)42-32-41(52-51(53-42)35-22-9-3-10-23-35)39-29-17-31-44-46(39)40-28-15-16-30-43(40)56-44/h1-32H.
What are the key properties of 5-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)-1,3,4-triphenylbenzo[g]indazole?
5-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)-1,3,4-triphenylbenzo[g]indazole has a molecular weight of 716.84 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)-1,3,4-triphenylbenzo[g]indazole is sourced from PubChem (CID 170441316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).