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

C48H28N4O2 — CID 155018769

IUPAC6-[3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc(-c5nc6ccccc6c6oc7ccccc7c56)c4)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C48H28N4O2/c1-2-12-30(13-3-1)46-50-47(52-48(51-46)38-20-11-19-35-34-16-5-8-22-40(34)53-44(35)38)31-26-24-29(25-27-31)32-14-10-15-33(28-32)43-42-37-18-6-9-23-41(37)54-45(42)36-17-4-7-21-39(36)49-43/h1-28H
InChIKeyROKFLKYGKIIFTC-UHFFFAOYSA-N
MW692.78 g/mol
LogP12.55
Rot. Bonds5

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

6-[3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline (PubChem CID 155018769) has the molecular formula C48H28N4O2 and a molecular weight of 692.78 g/mol. Its IUPAC name is 6-[3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

Compound Name6-[3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
PubChem CID155018769
Molecular FormulaC48H28N4O2
Molecular Weight692.78 g/mol
Exact Mass692.22
IUPAC Name6-[3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc(-c5nc6ccccc6c6oc7ccccc7c56)c4)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C48H28N4O2/c1-2-12-30(13-3-1)46-50-47(52-48(51-46)38-20-11-19-35-34-16-5-8-22-40(34)53-44(35)38)31-26-24-29(25-27-31)32-14-10-15-33(28-32)43-42-37-18-6-9-23-41(37)54-45(42)36-17-4-7-21-39(36)49-43/h1-28H
InChIKeyROKFLKYGKIIFTC-UHFFFAOYSA-N
XLogP12.55
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.78
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;6-[3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline;6-[4-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 163760325
3-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 159553913
6-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline
CID 155018377
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 139441684
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 158962614
6-phenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 157091257
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-dibenzofuran-4-yl-1,3,5-triazine
CID 165081213
2-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078181
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenyl-[1]benzofuro[3,2-c]quinoline
CID 152804973
6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline
CID 146497836

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The IUPAC name of 6-[3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline (CID 155018769) is 6-[3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline.
What is the SMILES notation for 6-[3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The canonical SMILES for 6-[3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2nc(-c3ccc(-c4cccc(-c5nc6ccccc6c6oc7ccccc7c56)c4)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 6-[3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The InChIKey is ROKFLKYGKIIFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4O2/c1-2-12-30(13-3-1)46-50-47(52-48(51-46)38-20-11-19-35-34-16-5-8-22-40(34)53-44(35)38)31-26-24-29(25-27-31)32-14-10-15-33(28-32)43-42-37-18-6-9-23-41(37)54-45(42)36-17-4-7-21-39(36)49-43/h1-28H.
What are the key properties of 6-[3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline?
6-[3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline has a molecular weight of 692.78 g/mol, XLogP of 12.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 155018769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).