3-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenyl-5,6-dihydrobenzo[f]quinoline

C59H39N3O — CID 163610022

IUPAC3-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenyl-5,6-dihydrobenzo[f]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4cc(-c5cc(-c6ccccc6)c6c(n5)CCc5ccccc5-6)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C59H39N3O/c1-4-15-38(16-5-1)39-27-29-42(30-28-39)54-37-55(62-59(61-54)43-20-8-3-9-21-43)46-34-44(48-24-14-25-50-49-23-12-13-26-56(49)63-58(48)50)33-45(35-46)53-36-51(40-17-6-2-7-18-40)57-47-22-11-10-19-41(47)31-32-52(57)60-53/h1-30,33-37H,31-32H2
InChIKeyHFCOROTXTIQTDF-UHFFFAOYSA-N
MW805.98 g/mol
LogP15.21
Rot. Bonds7

About 3-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenyl-5,6-dihydrobenzo[f]quinoline

3-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenyl-5,6-dihydrobenzo[f]quinoline (PubChem CID 163610022) has the molecular formula C59H39N3O and a molecular weight of 805.98 g/mol. Its IUPAC name is 3-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenyl-5,6-dihydrobenzo[f]quinoline.

Molecular Properties

Compound Name3-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenyl-5,6-dihydrobenzo[f]quinoline
PubChem CID163610022
Molecular FormulaC59H39N3O
Molecular Weight805.98 g/mol
Exact Mass805.31
IUPAC Name3-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenyl-5,6-dihydrobenzo[f]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4cc(-c5cc(-c6ccccc6)c6c(n5)CCc5ccccc5-6)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C59H39N3O/c1-4-15-38(16-5-1)39-27-29-42(30-28-39)54-37-55(62-59(61-54)43-20-8-3-9-21-43)46-34-44(48-24-14-25-50-49-23-12-13-26-56(49)63-58(48)50)33-45(35-46)53-36-51(40-17-6-2-7-18-40)57-47-22-11-10-19-41(47)31-32-52(57)60-53/h1-30,33-37H,31-32H2
InChIKeyHFCOROTXTIQTDF-UHFFFAOYSA-N
XLogP15.21
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.98
LogP ≤ 515.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 171585514
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
4-[3-dibenzofuran-4-yl-5-(9H-fluoren-1-yl)phenyl]-2,6-diphenylpyrimidine
CID 164945010
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 161324987
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160752497
2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585319
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 158944867
4-(4-dibenzofuran-1-ylphenyl)-6-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583737
4-dibenzofuran-2-yl-6-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171584969
4-[3-dibenzofuran-4-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583012
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261958

Frequently Asked Questions

What is the IUPAC name of 3-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenyl-5,6-dihydrobenzo[f]quinoline?
The IUPAC name of 3-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenyl-5,6-dihydrobenzo[f]quinoline (CID 163610022) is 3-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenyl-5,6-dihydrobenzo[f]quinoline.
What is the SMILES notation for 3-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenyl-5,6-dihydrobenzo[f]quinoline?
The canonical SMILES for 3-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenyl-5,6-dihydrobenzo[f]quinoline is c1ccc(-c2ccc(-c3cc(-c4cc(-c5cc(-c6ccccc6)c6c(n5)CCc5ccccc5-6)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 3-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenyl-5,6-dihydrobenzo[f]quinoline?
The InChIKey is HFCOROTXTIQTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3O/c1-4-15-38(16-5-1)39-27-29-42(30-28-39)54-37-55(62-59(61-54)43-20-8-3-9-21-43)46-34-44(48-24-14-25-50-49-23-12-13-26-56(49)63-58(48)50)33-45(35-46)53-36-51(40-17-6-2-7-18-40)57-47-22-11-10-19-41(47)31-32-52(57)60-53/h1-30,33-37H,31-32H2.
What are the key properties of 3-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenyl-5,6-dihydrobenzo[f]quinoline?
3-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenyl-5,6-dihydrobenzo[f]quinoline has a molecular weight of 805.98 g/mol, XLogP of 15.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenyl-5,6-dihydrobenzo[f]quinoline is sourced from PubChem (CID 163610022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).