2-(3-dibenzofuran-3-yl-9,9-diphenylfluoren-2-yl)-4,6-diphenylpyrimidine

C53H34N2O — CID 146367821

IUPAC2-(3-dibenzofuran-3-yl-9,9-diphenylfluoren-2-yl)-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c(cc3-c3ccc5c(c3)oc3ccccc35)-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C53H34N2O/c1-5-17-35(18-6-1)48-34-49(36-19-7-2-8-20-36)55-52(54-48)45-33-47-44(32-43(45)37-29-30-42-41-26-14-16-28-50(41)56-51(42)31-37)40-25-13-15-27-46(40)53(47,38-21-9-3-10-22-38)39-23-11-4-12-24-39/h1-34H
InChIKeyMLZKBFNYTLBZFY-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.41
Rot. Bonds6

About 2-(3-dibenzofuran-3-yl-9,9-diphenylfluoren-2-yl)-4,6-diphenylpyrimidine

2-(3-dibenzofuran-3-yl-9,9-diphenylfluoren-2-yl)-4,6-diphenylpyrimidine (PubChem CID 146367821) has the molecular formula C53H34N2O and a molecular weight of 714.87 g/mol. Its IUPAC name is 2-(3-dibenzofuran-3-yl-9,9-diphenylfluoren-2-yl)-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-(3-dibenzofuran-3-yl-9,9-diphenylfluoren-2-yl)-4,6-diphenylpyrimidine
PubChem CID146367821
Molecular FormulaC53H34N2O
Molecular Weight714.87 g/mol
Exact Mass714.27
IUPAC Name2-(3-dibenzofuran-3-yl-9,9-diphenylfluoren-2-yl)-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c(cc3-c3ccc5c(c3)oc3ccccc35)-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C53H34N2O/c1-5-17-35(18-6-1)48-34-49(36-19-7-2-8-20-36)55-52(54-48)45-33-47-44(32-43(45)37-29-30-42-41-26-14-16-28-50(41)56-51(42)31-37)40-25-13-15-27-46(40)53(47,38-21-9-3-10-22-38)39-23-11-4-12-24-39/h1-34H
InChIKeyMLZKBFNYTLBZFY-UHFFFAOYSA-N
XLogP13.41
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146367670
4-(2-dibenzofuran-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine
CID 146367846
4-[4-(4-dibenzofuran-3-ylnaphthalen-1-yl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603662
2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine;2-[3-(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine;2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine
CID 159401101
4-(3-dibenzofuran-3-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171603325
4-(2-dibenzofuran-3-ylphenyl)-6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171601905
2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine
CID 146648582
4-(4-dibenzofuran-3-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-6-(9,9-diphenylfluoren-2-yl)pyrimidine
CID 171603366
2-dibenzofuran-4-yl-4-phenyl-6-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 146367964
4-[3-dibenzofuran-2-yl-5-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171584830
4,6-diphenyl-2-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573611
4-(4-dibenzofuran-3-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171603135

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-3-yl-9,9-diphenylfluoren-2-yl)-4,6-diphenylpyrimidine?
The IUPAC name of 2-(3-dibenzofuran-3-yl-9,9-diphenylfluoren-2-yl)-4,6-diphenylpyrimidine (CID 146367821) is 2-(3-dibenzofuran-3-yl-9,9-diphenylfluoren-2-yl)-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-(3-dibenzofuran-3-yl-9,9-diphenylfluoren-2-yl)-4,6-diphenylpyrimidine?
The canonical SMILES for 2-(3-dibenzofuran-3-yl-9,9-diphenylfluoren-2-yl)-4,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c(cc3-c3ccc5c(c3)oc3ccccc35)-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 2-(3-dibenzofuran-3-yl-9,9-diphenylfluoren-2-yl)-4,6-diphenylpyrimidine?
The InChIKey is MLZKBFNYTLBZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O/c1-5-17-35(18-6-1)48-34-49(36-19-7-2-8-20-36)55-52(54-48)45-33-47-44(32-43(45)37-29-30-42-41-26-14-16-28-50(41)56-51(42)31-37)40-25-13-15-27-46(40)53(47,38-21-9-3-10-22-38)39-23-11-4-12-24-39/h1-34H.
What are the key properties of 2-(3-dibenzofuran-3-yl-9,9-diphenylfluoren-2-yl)-4,6-diphenylpyrimidine?
2-(3-dibenzofuran-3-yl-9,9-diphenylfluoren-2-yl)-4,6-diphenylpyrimidine has a molecular weight of 714.87 g/mol, XLogP of 13.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzofuran-3-yl-9,9-diphenylfluoren-2-yl)-4,6-diphenylpyrimidine is sourced from PubChem (CID 146367821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).