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

C52H32N4O — CID 163619656

IUPAC6-(4-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline
SMILESc1ccc(-c2nc(-c3cccc(-c4c(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc5ncccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C52H32N4O/c1-2-12-36(13-3-1)50-54-51(56-52(55-50)40-27-22-33-11-4-5-14-37(33)31-40)39-16-8-15-38(32-39)48-41(28-29-46-45(48)20-10-30-53-46)34-23-25-35(26-24-34)42-18-9-19-44-43-17-6-7-21-47(43)57-49(42)44/h1-32H
InChIKeyHMZZXRNIWOVABF-UHFFFAOYSA-N
MW728.86 g/mol
LogP13.47
Rot. Bonds6

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

6-(4-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline (PubChem CID 163619656) has the molecular formula C52H32N4O and a molecular weight of 728.86 g/mol. Its IUPAC name is 6-(4-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline.

Molecular Properties

Compound Name6-(4-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline
PubChem CID163619656
Molecular FormulaC52H32N4O
Molecular Weight728.86 g/mol
Exact Mass728.26
IUPAC Name6-(4-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline
SMILESc1ccc(-c2nc(-c3cccc(-c4c(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc5ncccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C52H32N4O/c1-2-12-36(13-3-1)50-54-51(56-52(55-50)40-27-22-33-11-4-5-14-37(33)31-40)39-16-8-15-38(32-39)48-41(28-29-46-45(48)20-10-30-53-46)34-23-25-35(26-24-34)42-18-9-19-44-43-17-6-7-21-47(43)57-49(42)44/h1-32H
InChIKeyHMZZXRNIWOVABF-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

7-(3-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 163632397
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139441852
2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845157
2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(3-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139441843
2-(4-dibenzofuran-4-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164821795
2-dibenzofuran-4-yl-4-[7-(2-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741418
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
2-dibenzofuran-4-yl-4-phenyl-6-[4-[2-(3-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139442227
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
2-dibenzofuran-4-yl-4-phenyl-6-[4-[2-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139442228

Frequently Asked Questions

What is the IUPAC name of 6-(4-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline?
The IUPAC name of 6-(4-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline (CID 163619656) is 6-(4-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 6-(4-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline?
The canonical SMILES for 6-(4-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline is c1ccc(-c2nc(-c3cccc(-c4c(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc5ncccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 6-(4-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline?
The InChIKey is HMZZXRNIWOVABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4O/c1-2-12-36(13-3-1)50-54-51(56-52(55-50)40-27-22-33-11-4-5-14-37(33)31-40)39-16-8-15-38(32-39)48-41(28-29-46-45(48)20-10-30-53-46)34-23-25-35(26-24-34)42-18-9-19-44-43-17-6-7-21-47(43)57-49(42)44/h1-32H.
What are the key properties of 6-(4-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline?
6-(4-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 6-(4-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline is sourced from PubChem (CID 163619656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).