2-[4-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-4,6-diphenylpyrimidine

C53H32F2N2O — CID 140939412

IUPAC2-[4-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-4,6-diphenylpyrimidine
SMILESFc1cccc(C2(c3cccc(F)c3)c3ccccc3-c3c2cc(-c2ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc2)c2c3oc3ccccc32)c1
InChIInChI=1S/C53H32F2N2O/c54-39-19-11-17-37(29-39)53(38-18-12-20-40(55)30-38)44-23-9-7-21-41(44)50-45(53)31-43(49-42-22-8-10-24-48(42)58-51(49)50)33-25-27-36(28-26-33)52-56-46(34-13-3-1-4-14-34)32-47(57-52)35-15-5-2-6-16-35/h1-32H
InChIKeyXNTMMBZHNBUORJ-UHFFFAOYSA-N
MW750.85 g/mol
LogP13.69
Rot. Bonds6

About 2-[4-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-4,6-diphenylpyrimidine

2-[4-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-4,6-diphenylpyrimidine (PubChem CID 140939412) has the molecular formula C53H32F2N2O and a molecular weight of 750.85 g/mol. Its IUPAC name is 2-[4-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[4-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-4,6-diphenylpyrimidine
PubChem CID140939412
Molecular FormulaC53H32F2N2O
Molecular Weight750.85 g/mol
Exact Mass750.25
IUPAC Name2-[4-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-4,6-diphenylpyrimidine
SMILESFc1cccc(C2(c3cccc(F)c3)c3ccccc3-c3c2cc(-c2ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc2)c2c3oc3ccccc32)c1
InChIInChI=1S/C53H32F2N2O/c54-39-19-11-17-37(29-39)53(38-18-12-20-40(55)30-38)44-23-9-7-21-41(44)50-45(53)31-43(49-42-22-8-10-24-48(42)58-51(49)50)33-25-27-36(28-26-33)52-56-46(34-13-3-1-4-14-34)32-47(57-52)35-15-5-2-6-16-35/h1-32H
InChIKeyXNTMMBZHNBUORJ-UHFFFAOYSA-N
XLogP13.69
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.85
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-4,6-diphenylpyrimidine with MolForge

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Related Compounds

12-[4-(4-Dibenzofuran-4-ylphenyl)quinazolin-2-yl]-5-(4-fluorophenyl)indolo[3,2-c]carbazole
CID 71291224
7-[4-[4-(4-Fluorophenyl)-6-phenylpyrimidin-2-yl]phenyl]-10-naphtho[2,1-b][1]benzofuran-5-ylbenzo[c]carbazole
CID 89590550
4-[4-[4-(7-Fluorodibenzofuran-2-yl)phenyl]phenyl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 89991446
4-[3,5-Di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine
CID 89991528
2-[3,5-Di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine
CID 89991721
2-[3,5-Di(dibenzofuran-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine
CID 89991820
4-[3,5-Di(dibenzofuran-4-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine
CID 89992006
2-Dibenzofuran-2-yl-9-[4-(4-fluorophenyl)quinazolin-2-yl]carbazole
CID 90129255
3-Dibenzofuran-3-yl-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole
CID 90129267
9-[4-[6-[4-(7-Fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 117659684
3-Dibenzofuran-2-yl-9-[4-(4-fluorophenyl)quinazolin-2-yl]carbazole
CID 117880973
3-Dibenzofuran-2-yl-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole
CID 117880997

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[4-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-4,6-diphenylpyrimidine (CID 140939412) is 2-[4-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[4-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[4-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-4,6-diphenylpyrimidine is Fc1cccc(C2(c3cccc(F)c3)c3ccccc3-c3c2cc(-c2ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc2)c2c3oc3ccccc32)c1.
What is the InChIKey of 2-[4-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-4,6-diphenylpyrimidine?
The InChIKey is XNTMMBZHNBUORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32F2N2O/c54-39-19-11-17-37(29-39)53(38-18-12-20-40(55)30-38)44-23-9-7-21-41(44)50-45(53)31-43(49-42-22-8-10-24-48(42)58-51(49)50)33-25-27-36(28-26-33)52-56-46(34-13-3-1-4-14-34)32-47(57-52)35-15-5-2-6-16-35/h1-32H.
What are the key properties of 2-[4-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-4,6-diphenylpyrimidine?
2-[4-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-4,6-diphenylpyrimidine has a molecular weight of 750.85 g/mol, XLogP of 13.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 140939412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).