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

C53H33FN2O — CID 171603294

IUPAC4-(9,9-diphenylfluoren-2-yl)-6-[4-(9-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine
SMILESFc1cccc2oc3ccc(-c4ccc(-c5cc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)nc(-c6ccccc6)n5)cc4)cc3c12
InChIInChI=1S/C53H33FN2O/c54-46-21-12-22-50-51(46)43-31-37(28-30-49(43)57-50)34-23-25-35(26-24-34)47-33-48(56-52(55-47)36-13-4-1-5-14-36)38-27-29-42-41-19-10-11-20-44(41)53(45(42)32-38,39-15-6-2-7-16-39)40-17-8-3-9-18-40/h1-33H
InChIKeyOSGSCEZCQNRCGF-UHFFFAOYSA-N
MW732.86 g/mol
LogP13.55
Rot. Bonds6

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

4-(9,9-diphenylfluoren-2-yl)-6-[4-(9-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine (PubChem CID 171603294) 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-(9-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(9,9-diphenylfluoren-2-yl)-6-[4-(9-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine
PubChem CID171603294
Molecular FormulaC53H33FN2O
Molecular Weight732.86 g/mol
Exact Mass732.26
IUPAC Name4-(9,9-diphenylfluoren-2-yl)-6-[4-(9-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine
SMILESFc1cccc2oc3ccc(-c4ccc(-c5cc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)nc(-c6ccccc6)n5)cc4)cc3c12
InChIInChI=1S/C53H33FN2O/c54-46-21-12-22-50-51(46)43-31-37(28-30-49(43)57-50)34-23-25-35(26-24-34)47-33-48(56-52(55-47)36-13-4-1-5-14-36)38-27-29-42-41-19-10-11-20-44(41)53(45(42)32-38,39-15-6-2-7-16-39)40-17-8-3-9-18-40/h1-33H
InChIKeyOSGSCEZCQNRCGF-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
4-(9,9-diphenylfluoren-2-yl)-6-[4-(7-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine
CID 171603323
4-[3-dibenzofuran-2-yl-5-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171584830
4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603052
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 157413794
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
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-1-yl-4-dibenzofuran-2-yl-6-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166003091
4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 121450608
4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603556

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-diphenylfluoren-2-yl)-6-[4-(9-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-(9,9-diphenylfluoren-2-yl)-6-[4-(9-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine (CID 171603294) is 4-(9,9-diphenylfluoren-2-yl)-6-[4-(9-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-(9,9-diphenylfluoren-2-yl)-6-[4-(9-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-(9,9-diphenylfluoren-2-yl)-6-[4-(9-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine is Fc1cccc2oc3ccc(-c4ccc(-c5cc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)nc(-c6ccccc6)n5)cc4)cc3c12.
What is the InChIKey of 4-(9,9-diphenylfluoren-2-yl)-6-[4-(9-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine?
The InChIKey is OSGSCEZCQNRCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33FN2O/c54-46-21-12-22-50-51(46)43-31-37(28-30-49(43)57-50)34-23-25-35(26-24-34)47-33-48(56-52(55-47)36-13-4-1-5-14-36)38-27-29-42-41-19-10-11-20-44(41)53(45(42)32-38,39-15-6-2-7-16-39)40-17-8-3-9-18-40/h1-33H.
What are the key properties of 4-(9,9-diphenylfluoren-2-yl)-6-[4-(9-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine?
4-(9,9-diphenylfluoren-2-yl)-6-[4-(9-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-(9-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 171603294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).