7-(3-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline

C52H32N4O — CID 163632397

IUPAC7-(3-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline
SMILESc1ccc(-c2nc(-c3cccc(-c4cc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc5ncccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C52H32N4O/c1-2-13-34(14-3-1)50-54-51(56-52(55-50)40-26-25-33-12-4-5-15-35(33)29-40)39-19-9-18-38(30-39)46-31-41(32-47-43(46)23-11-27-53-47)36-16-8-17-37(28-36)42-21-10-22-45-44-20-6-7-24-48(44)57-49(42)45/h1-32H
InChIKeyHXGJMWLGOGDSPQ-UHFFFAOYSA-N
MW728.86 g/mol
LogP13.47
Rot. Bonds6

About 7-(3-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline

7-(3-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline (PubChem CID 163632397) has the molecular formula C52H32N4O and a molecular weight of 728.86 g/mol. Its IUPAC name is 7-(3-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline.

Molecular Properties

Compound Name7-(3-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline
PubChem CID163632397
Molecular FormulaC52H32N4O
Molecular Weight728.86 g/mol
Exact Mass728.26
IUPAC Name7-(3-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline
SMILESc1ccc(-c2nc(-c3cccc(-c4cc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc5ncccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C52H32N4O/c1-2-13-34(14-3-1)50-54-51(56-52(55-50)40-26-25-33-12-4-5-15-35(33)29-40)39-19-9-18-38(30-39)46-31-41(32-47-43(46)23-11-27-53-47)36-16-8-17-37(28-36)42-21-10-22-45-44-20-6-7-24-48(44)57-49(42)45/h1-32H
InChIKeyHXGJMWLGOGDSPQ-UHFFFAOYSA-N
XLogP13.47
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.86
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 163619656
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
bis(2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);bis(2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159519330
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 171583506
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583085
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-dibenzofuran-4-yl-4-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154949955
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 153466225
4-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine
CID 130465796
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[3-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214029
2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[4-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214033

Frequently Asked Questions

What is the IUPAC name of 7-(3-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline?
The IUPAC name of 7-(3-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline (CID 163632397) is 7-(3-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline.
What is the SMILES notation for 7-(3-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline?
The canonical SMILES for 7-(3-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline is c1ccc(-c2nc(-c3cccc(-c4cc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc5ncccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 7-(3-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline?
The InChIKey is HXGJMWLGOGDSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4O/c1-2-13-34(14-3-1)50-54-51(56-52(55-50)40-26-25-33-12-4-5-15-35(33)29-40)39-19-9-18-38(30-39)46-31-41(32-47-43(46)23-11-27-53-47)36-16-8-17-37(28-36)42-21-10-22-45-44-20-6-7-24-48(44)57-49(42)45/h1-32H.
What are the key properties of 7-(3-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline?
7-(3-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline has a molecular weight of 728.86 g/mol, XLogP of 13.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline is sourced from PubChem (CID 163632397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).