4-(4-dibenzofuran-4-ylphenyl)-2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine

C65H40N2O3 — CID 138575105

IUPAC4-(4-dibenzofuran-4-ylphenyl)-2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccc(-c4cccc5c4Oc4c(ccc6c4-c4ccccc4C6(c4ccccc4)c4ccccc4)O5)cc3)n2)cc1
InChIInChI=1S/C65H40N2O3/c1-4-16-43(17-5-1)55-40-56(44-34-30-41(31-35-44)48-24-14-26-51-50-22-11-13-28-57(50)69-61(48)51)67-64(66-55)45-36-32-42(33-37-45)49-25-15-29-58-62(49)70-63-59(68-58)39-38-54-60(63)52-23-10-12-27-53(52)65(54,46-18-6-2-7-19-46)47-20-8-3-9-21-47/h1-40H
InChIKeyPJLVFCIIDIBJNC-UHFFFAOYSA-N
MW897.05 g/mol
LogP16.97
Rot. Bonds7

About 4-(4-dibenzofuran-4-ylphenyl)-2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine

4-(4-dibenzofuran-4-ylphenyl)-2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine (PubChem CID 138575105) has the molecular formula C65H40N2O3 and a molecular weight of 897.05 g/mol. Its IUPAC name is 4-(4-dibenzofuran-4-ylphenyl)-2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(4-dibenzofuran-4-ylphenyl)-2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine
PubChem CID138575105
Molecular FormulaC65H40N2O3
Molecular Weight897.05 g/mol
Exact Mass896.30
IUPAC Name4-(4-dibenzofuran-4-ylphenyl)-2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccc(-c4cccc5c4Oc4c(ccc6c4-c4ccccc4C6(c4ccccc4)c4ccccc4)O5)cc3)n2)cc1
InChIInChI=1S/C65H40N2O3/c1-4-16-43(17-5-1)55-40-56(44-34-30-41(31-35-44)48-24-14-26-51-50-22-11-13-28-57(50)69-61(48)51)67-64(66-55)45-36-32-42(33-37-45)49-25-15-29-58-62(49)70-63-59(68-58)39-38-54-60(63)52-23-10-12-27-53(52)65(54,46-18-6-2-7-19-46)47-20-8-3-9-21-47/h1-40H
InChIKeyPJLVFCIIDIBJNC-UHFFFAOYSA-N
XLogP16.97
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.05
LogP ≤ 516.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-dibenzofuran-4-ylphenyl)-2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575029
2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-triphenylen-2-ylpyrimidine
CID 138575109
2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine
CID 138575270
4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602182
4-dibenzofuran-4-yl-2-phenyl-6-(5,9,9-triphenylfluoren-2-yl)pyrimidine
CID 171601946
4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 142561006
4-dibenzofuran-3-yl-6-[4-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenylpyrimidine
CID 138574969
4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 138575818
4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9,9-diphenylfluoren-3-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171601945
4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171601858
2-[3-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 138575631
2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138575578

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-4-ylphenyl)-2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine?
The IUPAC name of 4-(4-dibenzofuran-4-ylphenyl)-2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine (CID 138575105) is 4-(4-dibenzofuran-4-ylphenyl)-2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine.
What is the SMILES notation for 4-(4-dibenzofuran-4-ylphenyl)-2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine?
The canonical SMILES for 4-(4-dibenzofuran-4-ylphenyl)-2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine is c1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccc(-c4cccc5c4Oc4c(ccc6c4-c4ccccc4C6(c4ccccc4)c4ccccc4)O5)cc3)n2)cc1.
What is the InChIKey of 4-(4-dibenzofuran-4-ylphenyl)-2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine?
The InChIKey is PJLVFCIIDIBJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H40N2O3/c1-4-16-43(17-5-1)55-40-56(44-34-30-41(31-35-44)48-24-14-26-51-50-22-11-13-28-57(50)69-61(48)51)67-64(66-55)45-36-32-42(33-37-45)49-25-15-29-58-62(49)70-63-59(68-58)39-38-54-60(63)52-23-10-12-27-53(52)65(54,46-18-6-2-7-19-46)47-20-8-3-9-21-47/h1-40H.
What are the key properties of 4-(4-dibenzofuran-4-ylphenyl)-2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine?
4-(4-dibenzofuran-4-ylphenyl)-2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine has a molecular weight of 897.05 g/mol, XLogP of 16.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzofuran-4-ylphenyl)-2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine is sourced from PubChem (CID 138575105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).