9-dibenzofuran-4-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(3-methyl-4-phenylphenyl)acridine

C59H40N4O — CID 146510967

IUPAC9-dibenzofuran-4-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(3-methyl-4-phenylphenyl)acridine
SMILESCc1cc(C2(c3cccc4c3oc3ccccc34)c3ccccc3N(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccccc32)ccc1-c1ccccc1
InChIInChI=1S/C59H40N4O/c1-39-38-44(34-37-46(39)40-18-5-2-6-19-40)59(51-28-17-25-48-47-24-11-16-31-54(47)64-55(48)51)49-26-12-14-29-52(49)63(53-30-15-13-27-50(53)59)45-35-32-43(33-36-45)58-61-56(41-20-7-3-8-21-41)60-57(62-58)42-22-9-4-10-23-42/h2-38H,1H3
InChIKeyMMAWFVXDZLWSJG-UHFFFAOYSA-N
MW821.00 g/mol
LogP14.91
Rot. Bonds7

About 9-dibenzofuran-4-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(3-methyl-4-phenylphenyl)acridine

9-dibenzofuran-4-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(3-methyl-4-phenylphenyl)acridine (PubChem CID 146510967) has the molecular formula C59H40N4O and a molecular weight of 821.00 g/mol. Its IUPAC name is 9-dibenzofuran-4-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(3-methyl-4-phenylphenyl)acridine.

Molecular Properties

Compound Name9-dibenzofuran-4-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(3-methyl-4-phenylphenyl)acridine
PubChem CID146510967
Molecular FormulaC59H40N4O
Molecular Weight821.00 g/mol
Exact Mass820.32
IUPAC Name9-dibenzofuran-4-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(3-methyl-4-phenylphenyl)acridine
SMILESCc1cc(C2(c3cccc4c3oc3ccccc34)c3ccccc3N(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccccc32)ccc1-c1ccccc1
InChIInChI=1S/C59H40N4O/c1-39-38-44(34-37-46(39)40-18-5-2-6-19-40)59(51-28-17-25-48-47-24-11-16-31-54(47)64-55(48)51)49-26-12-14-29-52(49)63(53-30-15-13-27-50(53)59)45-35-32-43(33-36-45)58-61-56(41-20-7-3-8-21-41)60-57(62-58)42-22-9-4-10-23-42/h2-38H,1H3
InChIKeyMMAWFVXDZLWSJG-UHFFFAOYSA-N
XLogP14.91
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.00
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;9,9-dimethyl-10-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine
CID 159018235
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridine;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridine;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methylphenyl]-9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridine
CID 161068023
10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine
CID 118528475
9-(3-dibenzofuran-2-ylphenyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylacridine;9-(3-dibenzofuran-3-ylphenyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylacridine;9-(3-dibenzofuran-4-ylphenyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylacridine
CID 159648707
2,4-diphenyl-6-[6-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 162487314
N-(2-methylphenyl)-N-[4-[4-(9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridin-10-yl)phenyl]phenyl]naphthalen-1-amine
CID 146511438
2-dibenzofuran-4-yl-4-phenyl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine
CID 155481121
2-dibenzofuran-4-yl-10-[4-(9,9-dimethylfluoren-1-yl)phenyl]-10'-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465153
3-(9-dibenzofuran-4-ylfluoren-9-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-7-(9-phenylfluoren-9-yl)carbazole;2-phenyl-7-(9-phenylfluoren-9-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 157317416
3-(9-dibenzofuran-4-yl-9-naphthalen-2-ylacridin-10-yl)-N,N-diphenylaniline
CID 146511290
2-dibenzofuran-4-yl-4-phenyl-6-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-1,3,5-triazine
CID 155460729
2-dibenzofuran-4-yl-4-phenyl-6-[9-(3-phenylphenyl)fluoren-9-yl]-1,3,5-triazine
CID 164821314

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-4-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(3-methyl-4-phenylphenyl)acridine?
The IUPAC name of 9-dibenzofuran-4-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(3-methyl-4-phenylphenyl)acridine (CID 146510967) is 9-dibenzofuran-4-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(3-methyl-4-phenylphenyl)acridine.
What is the SMILES notation for 9-dibenzofuran-4-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(3-methyl-4-phenylphenyl)acridine?
The canonical SMILES for 9-dibenzofuran-4-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(3-methyl-4-phenylphenyl)acridine is Cc1cc(C2(c3cccc4c3oc3ccccc34)c3ccccc3N(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccccc32)ccc1-c1ccccc1.
What is the InChIKey of 9-dibenzofuran-4-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(3-methyl-4-phenylphenyl)acridine?
The InChIKey is MMAWFVXDZLWSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N4O/c1-39-38-44(34-37-46(39)40-18-5-2-6-19-40)59(51-28-17-25-48-47-24-11-16-31-54(47)64-55(48)51)49-26-12-14-29-52(49)63(53-30-15-13-27-50(53)59)45-35-32-43(33-36-45)58-61-56(41-20-7-3-8-21-41)60-57(62-58)42-22-9-4-10-23-42/h2-38H,1H3.
What are the key properties of 9-dibenzofuran-4-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(3-methyl-4-phenylphenyl)acridine?
9-dibenzofuran-4-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(3-methyl-4-phenylphenyl)acridine has a molecular weight of 821.00 g/mol, XLogP of 14.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-4-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(3-methyl-4-phenylphenyl)acridine is sourced from PubChem (CID 146510967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).