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

C42H26N4O — CID 152804973

IUPAC6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenyl-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5cccc(-c6ccccc6)c5c5oc6ccccc6c45)cc3)n2)cc1
InChIInChI=1S/C42H26N4O/c1-4-13-27(14-5-1)32-20-12-21-34-36(32)39-37(33-19-10-11-22-35(33)47-39)38(43-34)28-23-25-31(26-24-28)42-45-40(29-15-6-2-7-16-29)44-41(46-42)30-17-8-3-9-18-30/h1-26H
InChIKeySPCVXECXTXTXQB-UHFFFAOYSA-N
MW602.70 g/mol
LogP10.65
Rot. Bonds5

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

6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenyl-[1]benzofuro[3,2-c]quinoline (PubChem CID 152804973) has the molecular formula C42H26N4O and a molecular weight of 602.70 g/mol. Its IUPAC name is 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenyl-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

Compound Name6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenyl-[1]benzofuro[3,2-c]quinoline
PubChem CID152804973
Molecular FormulaC42H26N4O
Molecular Weight602.70 g/mol
Exact Mass602.21
IUPAC Name6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenyl-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5cccc(-c6ccccc6)c5c5oc6ccccc6c45)cc3)n2)cc1
InChIInChI=1S/C42H26N4O/c1-4-13-27(14-5-1)32-20-12-21-34-36(32)39-37(33-19-10-11-22-35(33)47-39)38(43-34)28-23-25-31(26-24-28)42-45-40(29-15-6-2-7-16-29)44-41(46-42)30-17-8-3-9-18-30/h1-26H
InChIKeySPCVXECXTXTXQB-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 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenyl-[1]benzofuro[3,2-c]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;6-naphthalen-1-yl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 160700548
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline
CID 159208393
1-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 147593443
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158226928
11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 162703438
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
1-phenanthren-9-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 159384571
10-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
CID 163472733
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-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 163447676
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

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenyl-[1]benzofuro[3,2-c]quinoline?
The IUPAC name of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenyl-[1]benzofuro[3,2-c]quinoline (CID 152804973) is 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenyl-[1]benzofuro[3,2-c]quinoline.
What is the SMILES notation for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenyl-[1]benzofuro[3,2-c]quinoline?
The canonical SMILES for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenyl-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5cccc(-c6ccccc6)c5c5oc6ccccc6c45)cc3)n2)cc1.
What is the InChIKey of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenyl-[1]benzofuro[3,2-c]quinoline?
The InChIKey is SPCVXECXTXTXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O/c1-4-13-27(14-5-1)32-20-12-21-34-36(32)39-37(33-19-10-11-22-35(33)47-39)38(43-34)28-23-25-31(26-24-28)42-45-40(29-15-6-2-7-16-29)44-41(46-42)30-17-8-3-9-18-30/h1-26H.
What are the key properties of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenyl-[1]benzofuro[3,2-c]quinoline?
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-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 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenyl-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 152804973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).