7-[8-[4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]quinoline

C59H36N4O — CID 176588048

IUPAC7-[8-[4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]quinoline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4nc(-c5cccc6ccc(-c7ccc8cccnc8c7)cc56)nc(-c5cccc6c5oc5ccccc56)n4)cc32)cc1
InChIInChI=1S/C59H36N4O/c1-3-16-42(17-4-1)59(43-18-5-2-6-19-43)51-25-9-7-20-44(51)45-32-31-41(35-52(45)59)56-61-57(63-58(62-56)49-24-12-22-47-46-21-8-10-26-54(46)64-55(47)49)48-23-11-14-37-27-29-39(34-50(37)48)40-30-28-38-15-13-33-60-53(38)36-40/h1-36H
InChIKeyRPWWDGDXWVZCPG-UHFFFAOYSA-N
MW816.96 g/mol
LogP14.50
Rot. Bonds6

About 7-[8-[4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]quinoline

7-[8-[4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]quinoline (PubChem CID 176588048) has the molecular formula C59H36N4O and a molecular weight of 816.96 g/mol. Its IUPAC name is 7-[8-[4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]quinoline.

Molecular Properties

Compound Name7-[8-[4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]quinoline
PubChem CID176588048
Molecular FormulaC59H36N4O
Molecular Weight816.96 g/mol
Exact Mass816.29
IUPAC Name7-[8-[4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]quinoline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4nc(-c5cccc6ccc(-c7ccc8cccnc8c7)cc56)nc(-c5cccc6c5oc5ccccc56)n4)cc32)cc1
InChIInChI=1S/C59H36N4O/c1-3-16-42(17-4-1)59(43-18-5-2-6-19-43)51-25-9-7-20-44(51)45-32-31-41(35-52(45)59)56-61-57(63-58(62-56)49-24-12-22-47-46-21-8-10-26-54(46)64-55(47)49)48-23-11-14-37-27-29-39(34-50(37)48)40-30-28-38-15-13-33-60-53(38)36-40/h1-36H
InChIKeyRPWWDGDXWVZCPG-UHFFFAOYSA-N
XLogP14.50
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.96
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-4-[3-(9,9-diphenylfluoren-2-yl)-5-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 164799713
2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160204
4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171602380
2-chrysen-2-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 165088106
4-(2-dibenzofuran-4-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171601901
4-dibenzofuran-4-yl-2-(9,9-diphenylfluoren-2-yl)-6-(2,4-diphenylphenyl)pyrimidine
CID 146669920
2-dibenzofuran-4-yl-4-(3-phenanthren-4-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 169278943
2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)-1,3,5-triazine
CID 155278995
2-(9,9-diphenylfluoren-2-yl)-4-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 161426353
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
2-dibenzofuran-4-yl-4-phenyl-6-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 146367964
2-(3-dibenzofuran-4-ylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)pyrimidine
CID 171602818

Frequently Asked Questions

What is the IUPAC name of 7-[8-[4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]quinoline?
The IUPAC name of 7-[8-[4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]quinoline (CID 176588048) is 7-[8-[4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]quinoline.
What is the SMILES notation for 7-[8-[4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]quinoline?
The canonical SMILES for 7-[8-[4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]quinoline is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4nc(-c5cccc6ccc(-c7ccc8cccnc8c7)cc56)nc(-c5cccc6c5oc5ccccc56)n4)cc32)cc1.
What is the InChIKey of 7-[8-[4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]quinoline?
The InChIKey is RPWWDGDXWVZCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4O/c1-3-16-42(17-4-1)59(43-18-5-2-6-19-43)51-25-9-7-20-44(51)45-32-31-41(35-52(45)59)56-61-57(63-58(62-56)49-24-12-22-47-46-21-8-10-26-54(46)64-55(47)49)48-23-11-14-37-27-29-39(34-50(37)48)40-30-28-38-15-13-33-60-53(38)36-40/h1-36H.
What are the key properties of 7-[8-[4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]quinoline?
7-[8-[4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]quinoline has a molecular weight of 816.96 g/mol, XLogP of 14.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[8-[4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]quinoline is sourced from PubChem (CID 176588048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).