5-[4-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-11,11-diphenylindeno[1,2-c]isoquinoline

C56H35N3O — CID 168855046

IUPAC5-[4-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-11,11-diphenylindeno[1,2-c]isoquinoline
SMILESc1ccc(-c2cc(-c3cccc4oc5ccccc5c34)nc(-c3ccc(-c4nc5c(c6ccccc46)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)n2)cc1
InChIInChI=1S/C56H35N3O/c1-4-17-36(18-5-1)47-35-48(44-27-16-30-50-51(44)45-26-13-15-29-49(45)60-50)58-55(57-47)38-33-31-37(32-34-38)53-42-24-11-10-23-41(42)52-54(59-53)43-25-12-14-28-46(43)56(52,39-19-6-2-7-20-39)40-21-8-3-9-22-40/h1-35H
InChIKeyNMUSCZHHJBWBIT-UHFFFAOYSA-N
MW765.92 g/mol
LogP13.96
Rot. Bonds6

About 5-[4-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-11,11-diphenylindeno[1,2-c]isoquinoline

5-[4-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-11,11-diphenylindeno[1,2-c]isoquinoline (PubChem CID 168855046) has the molecular formula C56H35N3O and a molecular weight of 765.92 g/mol. Its IUPAC name is 5-[4-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-11,11-diphenylindeno[1,2-c]isoquinoline.

Molecular Properties

Compound Name5-[4-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-11,11-diphenylindeno[1,2-c]isoquinoline
PubChem CID168855046
Molecular FormulaC56H35N3O
Molecular Weight765.92 g/mol
Exact Mass765.28
IUPAC Name5-[4-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-11,11-diphenylindeno[1,2-c]isoquinoline
SMILESc1ccc(-c2cc(-c3cccc4oc5ccccc5c34)nc(-c3ccc(-c4nc5c(c6ccccc46)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)n2)cc1
InChIInChI=1S/C56H35N3O/c1-4-17-36(18-5-1)47-35-48(44-27-16-30-50-51(44)45-26-13-15-29-49(45)60-50)58-55(57-47)38-33-31-37(32-34-38)53-42-24-11-10-23-41(42)52-54(59-53)43-25-12-14-28-46(43)56(52,39-19-6-2-7-20-39)40-21-8-3-9-22-40/h1-35H
InChIKeyNMUSCZHHJBWBIT-UHFFFAOYSA-N
XLogP13.96
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.92
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5'-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]
CID 166898671
4-dibenzofuran-1-yl-6-phenyl-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine
CID 147940366
4-(4-dibenzofuran-1-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602956
4-dibenzofuran-1-yl-2-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 153287866
5'-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]
CID 168855074
4-dibenzofuran-1-yl-2-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 153288143
4-dibenzofuran-1-yl-2-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 149475005
4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171602598
4-dibenzofuran-2-yl-2-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]pyrimidine
CID 171603674
4-[3-dibenzofuran-2-yl-5-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171584830
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 139304376
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121460855

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-11,11-diphenylindeno[1,2-c]isoquinoline?
The IUPAC name of 5-[4-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-11,11-diphenylindeno[1,2-c]isoquinoline (CID 168855046) is 5-[4-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-11,11-diphenylindeno[1,2-c]isoquinoline.
What is the SMILES notation for 5-[4-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-11,11-diphenylindeno[1,2-c]isoquinoline?
The canonical SMILES for 5-[4-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-11,11-diphenylindeno[1,2-c]isoquinoline is c1ccc(-c2cc(-c3cccc4oc5ccccc5c34)nc(-c3ccc(-c4nc5c(c6ccccc46)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)n2)cc1.
What is the InChIKey of 5-[4-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-11,11-diphenylindeno[1,2-c]isoquinoline?
The InChIKey is NMUSCZHHJBWBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3O/c1-4-17-36(18-5-1)47-35-48(44-27-16-30-50-51(44)45-26-13-15-29-49(45)60-50)58-55(57-47)38-33-31-37(32-34-38)53-42-24-11-10-23-41(42)52-54(59-53)43-25-12-14-28-46(43)56(52,39-19-6-2-7-20-39)40-21-8-3-9-22-40/h1-35H.
What are the key properties of 5-[4-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-11,11-diphenylindeno[1,2-c]isoquinoline?
5-[4-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-11,11-diphenylindeno[1,2-c]isoquinoline has a molecular weight of 765.92 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-11,11-diphenylindeno[1,2-c]isoquinoline is sourced from PubChem (CID 168855046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).