3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-quinolin-3-ylphenyl]quinoline

C46H28N4O — CID 154950032

IUPAC3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-quinolin-3-ylphenyl]quinoline
SMILESc1ccc(-c2nc(-c3cc(-c4cnc5ccccc5c4)cc(-c4cnc5ccccc5c4)c3)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C46H28N4O/c1-2-10-29(11-3-1)46-49-42(32-18-19-39-38-14-6-9-17-44(38)51-45(39)25-32)26-43(50-46)35-23-33(36-20-30-12-4-7-15-40(30)47-27-36)22-34(24-35)37-21-31-13-5-8-16-41(31)48-28-37/h1-28H
InChIKeyAYWJMRFFRVLKDU-UHFFFAOYSA-N
MW652.76 g/mol
LogP11.81
Rot. Bonds5

About 3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-quinolin-3-ylphenyl]quinoline

3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-quinolin-3-ylphenyl]quinoline (PubChem CID 154950032) has the molecular formula C46H28N4O and a molecular weight of 652.76 g/mol. Its IUPAC name is 3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-quinolin-3-ylphenyl]quinoline.

Molecular Properties

Compound Name3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-quinolin-3-ylphenyl]quinoline
PubChem CID154950032
Molecular FormulaC46H28N4O
Molecular Weight652.76 g/mol
Exact Mass652.23
IUPAC Name3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-quinolin-3-ylphenyl]quinoline
SMILESc1ccc(-c2nc(-c3cc(-c4cnc5ccccc5c4)cc(-c4cnc5ccccc5c4)c3)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C46H28N4O/c1-2-10-29(11-3-1)46-49-42(32-18-19-39-38-14-6-9-17-44(38)51-45(39)25-32)26-43(50-46)35-23-33(36-20-30-12-4-7-15-40(30)47-27-36)22-34(24-35)37-21-31-13-5-8-16-41(31)48-28-37/h1-28H
InChIKeyAYWJMRFFRVLKDU-UHFFFAOYSA-N
XLogP11.81
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.76
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171583452
4-dibenzofuran-3-yl-6-[4-(3,5-diphenylphenyl)phenyl]-2-phenylpyrimidine
CID 138659621
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 171583004
4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171583600
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 171583122
2-dibenzofuran-3-yl-4-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 154613642
2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 154613600
4-(3-dibenzofuran-3-yl-5-naphthalen-1-ylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171584084
2-dibenzofuran-3-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465791
2-[3-dibenzofuran-3-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442386
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171584875
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-phenyl-6-(6-phenylnaphthalen-2-yl)pyrimidine
CID 171583494

Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-quinolin-3-ylphenyl]quinoline?
The IUPAC name of 3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-quinolin-3-ylphenyl]quinoline (CID 154950032) is 3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-quinolin-3-ylphenyl]quinoline.
What is the SMILES notation for 3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-quinolin-3-ylphenyl]quinoline?
The canonical SMILES for 3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-quinolin-3-ylphenyl]quinoline is c1ccc(-c2nc(-c3cc(-c4cnc5ccccc5c4)cc(-c4cnc5ccccc5c4)c3)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-quinolin-3-ylphenyl]quinoline?
The InChIKey is AYWJMRFFRVLKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O/c1-2-10-29(11-3-1)46-49-42(32-18-19-39-38-14-6-9-17-44(38)51-45(39)25-32)26-43(50-46)35-23-33(36-20-30-12-4-7-15-40(30)47-27-36)22-34(24-35)37-21-31-13-5-8-16-41(31)48-28-37/h1-28H.
What are the key properties of 3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-quinolin-3-ylphenyl]quinoline?
3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-quinolin-3-ylphenyl]quinoline has a molecular weight of 652.76 g/mol, XLogP of 11.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-quinolin-3-ylphenyl]quinoline is sourced from PubChem (CID 154950032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).