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

C54H32N4O2 — CID 160531838

IUPAC6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2cccc(-c3cccc4c3nc(-c3cccc(-c5nc(-c6ccccc6)nc(-c6ccc7oc8ccccc8c7c6)n5)c3)c3oc5ccccc5c34)c2)cc1
InChIInChI=1S/C54H32N4O2/c1-3-14-33(15-4-1)35-18-11-19-36(30-35)40-24-13-25-43-48-42-23-8-10-27-46(42)60-51(48)49(55-50(40)43)37-20-12-21-38(31-37)53-56-52(34-16-5-2-6-17-34)57-54(58-53)39-28-29-47-44(32-39)41-22-7-9-26-45(41)59-47/h1-32H
InChIKeyAAYLFUKOYQJBCD-UHFFFAOYSA-N
MW768.88 g/mol
LogP14.22
Rot. Bonds6

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

6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline (PubChem CID 160531838) has the molecular formula C54H32N4O2 and a molecular weight of 768.88 g/mol. Its IUPAC name is 6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline
PubChem CID160531838
Molecular FormulaC54H32N4O2
Molecular Weight768.88 g/mol
Exact Mass768.25
IUPAC Name6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2cccc(-c3cccc4c3nc(-c3cccc(-c5nc(-c6ccccc6)nc(-c6ccc7oc8ccccc8c7c6)n5)c3)c3oc5ccccc5c34)c2)cc1
InChIInChI=1S/C54H32N4O2/c1-3-14-33(15-4-1)35-18-11-19-36(30-35)40-24-13-25-43-48-42-23-8-10-27-46(42)60-51(48)49(55-50(40)43)37-20-12-21-38(31-37)53-56-52(34-16-5-2-6-17-34)57-54(58-53)39-28-29-47-44(32-39)41-22-7-9-26-45(41)59-47/h1-32H
InChIKeyAAYLFUKOYQJBCD-UHFFFAOYSA-N
XLogP14.22
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.88
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(3-dibenzofuran-1-ylphenyl)-4-(3-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304365
11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 162703350
2-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155077854
4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 159778043
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 158226926
2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 148688171
6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 157332504
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651034
2,4-diphenyl-6-[6-[3-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952873
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165036845
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of 6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline (CID 160531838) is 6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for 6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for 6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline is c1ccc(-c2cccc(-c3cccc4c3nc(-c3cccc(-c5nc(-c6ccccc6)nc(-c6ccc7oc8ccccc8c7c6)n5)c3)c3oc5ccccc5c34)c2)cc1.
What is the InChIKey of 6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline?
The InChIKey is AAYLFUKOYQJBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4O2/c1-3-14-33(15-4-1)35-18-11-19-36(30-35)40-24-13-25-43-48-42-23-8-10-27-46(42)60-51(48)49(55-50(40)43)37-20-12-21-38(31-37)53-56-52(34-16-5-2-6-17-34)57-54(58-53)39-28-29-47-44(32-39)41-22-7-9-26-45(41)59-47/h1-32H.
What are the key properties of 6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline?
6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline has a molecular weight of 768.88 g/mol, XLogP of 14.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 160531838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).