4-(9,9-diphenylfluoren-2-yl)-6-[4-(7-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine

C53H33FN2O — CID 171603323

IUPAC4-(9,9-diphenylfluoren-2-yl)-6-[4-(7-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine
SMILESFc1ccc2c(c1)oc1ccc(-c3ccc(-c4cc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)nc(-c5ccccc5)n4)cc3)cc12
InChIInChI=1S/C53H33FN2O/c54-41-26-28-44-45-30-37(25-29-50(45)57-51(44)32-41)34-20-22-35(23-21-34)48-33-49(56-52(55-48)36-12-4-1-5-13-36)38-24-27-43-42-18-10-11-19-46(42)53(47(43)31-38,39-14-6-2-7-15-39)40-16-8-3-9-17-40/h1-33H
InChIKeyPNKSZEJQZBWBME-UHFFFAOYSA-N
MW732.86 g/mol
LogP13.55
Rot. Bonds6

About 4-(9,9-diphenylfluoren-2-yl)-6-[4-(7-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine

4-(9,9-diphenylfluoren-2-yl)-6-[4-(7-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine (PubChem CID 171603323) has the molecular formula C53H33FN2O and a molecular weight of 732.86 g/mol. Its IUPAC name is 4-(9,9-diphenylfluoren-2-yl)-6-[4-(7-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(9,9-diphenylfluoren-2-yl)-6-[4-(7-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine
PubChem CID171603323
Molecular FormulaC53H33FN2O
Molecular Weight732.86 g/mol
Exact Mass732.26
IUPAC Name4-(9,9-diphenylfluoren-2-yl)-6-[4-(7-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine
SMILESFc1ccc2c(c1)oc1ccc(-c3ccc(-c4cc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)nc(-c5ccccc5)n4)cc3)cc12
InChIInChI=1S/C53H33FN2O/c54-41-26-28-44-45-30-37(25-29-50(45)57-51(44)32-41)34-20-22-35(23-21-34)48-33-49(56-52(55-48)36-12-4-1-5-13-36)38-24-27-43-42-18-10-11-19-46(42)53(47(43)31-38,39-14-6-2-7-15-39)40-16-8-3-9-17-40/h1-33H
InChIKeyPNKSZEJQZBWBME-UHFFFAOYSA-N
XLogP13.55
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.86
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-phenylphenyl)pyrimidine
CID 171603049
2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 147385970
4-(9,9-diphenylfluoren-2-yl)-6-[4-(9-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine
CID 171603294
4-[3-dibenzofuran-2-yl-5-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171584830
4-[4-(4-dibenzofuran-3-ylnaphthalen-1-yl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603662
4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603052
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-phenanthren-9-ylpyrimidine
CID 171603274
4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
CID 171603263
4-(4-dibenzofuran-2-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603028
2-dibenzofuran-2-yl-4-(3-phenylphenyl)-6-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;2-dibenzofuran-3-yl-4-(3-phenylphenyl)-6-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;2-dibenzofuran-3-yl-4-phenyl-6-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 158042977
2-(3-dibenzofuran-4-ylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)pyrimidine
CID 171602818
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 171603571

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-diphenylfluoren-2-yl)-6-[4-(7-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-(9,9-diphenylfluoren-2-yl)-6-[4-(7-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine (CID 171603323) is 4-(9,9-diphenylfluoren-2-yl)-6-[4-(7-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-(9,9-diphenylfluoren-2-yl)-6-[4-(7-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-(9,9-diphenylfluoren-2-yl)-6-[4-(7-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine is Fc1ccc2c(c1)oc1ccc(-c3ccc(-c4cc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)nc(-c5ccccc5)n4)cc3)cc12.
What is the InChIKey of 4-(9,9-diphenylfluoren-2-yl)-6-[4-(7-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine?
The InChIKey is PNKSZEJQZBWBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33FN2O/c54-41-26-28-44-45-30-37(25-29-50(45)57-51(44)32-41)34-20-22-35(23-21-34)48-33-49(56-52(55-48)36-12-4-1-5-13-36)38-24-27-43-42-18-10-11-19-46(42)53(47(43)31-38,39-14-6-2-7-15-39)40-16-8-3-9-17-40/h1-33H.
What are the key properties of 4-(9,9-diphenylfluoren-2-yl)-6-[4-(7-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine?
4-(9,9-diphenylfluoren-2-yl)-6-[4-(7-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine has a molecular weight of 732.86 g/mol, XLogP of 13.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-diphenylfluoren-2-yl)-6-[4-(7-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 171603323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).