4-dibenzofuran-3-yl-6-[4-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenylpyrimidine

C59H36N2O3 — CID 138574969

IUPAC4-dibenzofuran-3-yl-6-[4-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenylpyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)Oc4c(ccc6c4-c4ccccc4C6(c4ccccc4)c4ccccc4)O5)cc3)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C59H36N2O3/c1-4-14-39(15-5-1)58-60-49(36-50(61-58)41-28-30-45-44-20-11-13-23-51(44)62-54(45)35-41)38-26-24-37(25-27-38)40-29-32-52-55(34-40)64-57-53(63-52)33-31-48-56(57)46-21-10-12-22-47(46)59(48,42-16-6-2-7-17-42)43-18-8-3-9-19-43/h1-36H
InChIKeyUDGKCWHSLJPGBU-UHFFFAOYSA-N
MW820.95 g/mol
LogP15.31
Rot. Bonds6

About 4-dibenzofuran-3-yl-6-[4-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenylpyrimidine

4-dibenzofuran-3-yl-6-[4-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenylpyrimidine (PubChem CID 138574969) has the molecular formula C59H36N2O3 and a molecular weight of 820.95 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-6-[4-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-3-yl-6-[4-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenylpyrimidine
PubChem CID138574969
Molecular FormulaC59H36N2O3
Molecular Weight820.95 g/mol
Exact Mass820.27
IUPAC Name4-dibenzofuran-3-yl-6-[4-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenylpyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)Oc4c(ccc6c4-c4ccccc4C6(c4ccccc4)c4ccccc4)O5)cc3)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C59H36N2O3/c1-4-14-39(15-5-1)58-60-49(36-50(61-58)41-28-30-45-44-20-11-13-23-51(44)62-54(45)35-41)38-26-24-37(25-27-38)40-29-32-52-55(34-40)64-57-53(63-52)33-31-48-56(57)46-21-10-12-22-47(46)59(48,42-16-6-2-7-17-42)43-18-8-3-9-19-43/h1-36H
InChIKeyUDGKCWHSLJPGBU-UHFFFAOYSA-N
XLogP15.31
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.95
LogP ≤ 515.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 138576040
4-(4-dibenzofuran-3-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171603135
2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 138575666
2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 138575608
4-(4-dibenzofuran-4-ylphenyl)-2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine
CID 138575105
4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603556
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138576122
4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603313
2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-triphenylen-2-ylpyrimidine
CID 138575109
4-[4-(4-dibenzofuran-3-ylnaphthalen-1-yl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603662
4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171602396
2-dibenzothiophen-3-yl-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138576130

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-6-[4-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-dibenzofuran-3-yl-6-[4-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenylpyrimidine (CID 138574969) is 4-dibenzofuran-3-yl-6-[4-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-dibenzofuran-3-yl-6-[4-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-dibenzofuran-3-yl-6-[4-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenylpyrimidine is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)Oc4c(ccc6c4-c4ccccc4C6(c4ccccc4)c4ccccc4)O5)cc3)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 4-dibenzofuran-3-yl-6-[4-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenylpyrimidine?
The InChIKey is UDGKCWHSLJPGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2O3/c1-4-14-39(15-5-1)58-60-49(36-50(61-58)41-28-30-45-44-20-11-13-23-51(44)62-54(45)35-41)38-26-24-37(25-27-38)40-29-32-52-55(34-40)64-57-53(63-52)33-31-48-56(57)46-21-10-12-22-47(46)59(48,42-16-6-2-7-17-42)43-18-8-3-9-19-43/h1-36H.
What are the key properties of 4-dibenzofuran-3-yl-6-[4-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenylpyrimidine?
4-dibenzofuran-3-yl-6-[4-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenylpyrimidine has a molecular weight of 820.95 g/mol, XLogP of 15.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-3-yl-6-[4-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 138574969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).