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

C42H26N4O — CID 158226927

IUPAC4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4nc(-c4ccccc4)c4c6ccccc6oc54)c3)n2)cc1
InChIInChI=1S/C42H26N4O/c1-4-14-27(15-5-1)37-36-33-22-10-11-25-35(33)47-39(36)34-24-13-23-32(38(34)43-37)30-20-12-21-31(26-30)42-45-40(28-16-6-2-7-17-28)44-41(46-42)29-18-8-3-9-19-29/h1-26H
InChIKeyIXPRLBDZPPLLNB-UHFFFAOYSA-N
MW602.70 g/mol
LogP10.65
Rot. Bonds5

About 4-[3-(4,6-diphenyl-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 (PubChem CID 158226927) has the molecular formula C42H26N4O and a molecular weight of 602.70 g/mol. Its IUPAC name is 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

Compound Name4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
PubChem CID158226927
Molecular FormulaC42H26N4O
Molecular Weight602.70 g/mol
Exact Mass602.21
IUPAC Name4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4nc(-c4ccccc4)c4c6ccccc6oc54)c3)n2)cc1
InChIInChI=1S/C42H26N4O/c1-4-14-27(15-5-1)37-36-33-22-10-11-25-35(33)47-39(36)34-24-13-23-32(38(34)43-37)30-20-12-21-31(26-30)42-45-40(28-16-6-2-7-17-28)44-41(46-42)29-18-8-3-9-19-29/h1-26H
InChIKeyIXPRLBDZPPLLNB-UHFFFAOYSA-N
XLogP10.65
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.70
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 159778043
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
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158226928
4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158448378
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline
CID 157112850
4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline
CID 158431383
4-(2,6-diphenylpyrimidin-4-yl)-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
CID 159309562
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
CID 159893353
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
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-diphenyl-6-[3-(4-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 130289437
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
CID 147586920

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline?
The IUPAC name of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline (CID 158226927) is 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline.
What is the SMILES notation for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline?
The canonical SMILES for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4nc(-c4ccccc4)c4c6ccccc6oc54)c3)n2)cc1.
What is the InChIKey of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline?
The InChIKey is IXPRLBDZPPLLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O/c1-4-14-27(15-5-1)37-36-33-22-10-11-25-35(33)47-39(36)34-24-13-23-32(38(34)43-37)30-20-12-21-31(26-30)42-45-40(28-16-6-2-7-17-28)44-41(46-42)29-18-8-3-9-19-29/h1-26H.
What are the key properties of 4-[3-(4,6-diphenyl-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 has a molecular weight of 602.70 g/mol, XLogP of 10.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 158226927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).