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

C48H30N4O2 — CID 162035273

IUPAC1-[2-(2-dibenzofuran-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-b]quinoline
SMILESc1ccc(C2=NC(c3cccc4oc5ccccc5c34)NC(c3ccccc3-c3ccc(-c4ccccc4)c4oc5nc6ccccc6cc5c34)=N2)cc1
InChIInChI=1S/C48H30N4O2/c1-3-14-29(15-4-1)32-26-27-34(43-38-28-31-18-7-11-23-39(31)49-48(38)54-44(32)43)33-19-8-9-20-35(33)46-50-45(30-16-5-2-6-17-30)51-47(52-46)37-22-13-25-41-42(37)36-21-10-12-24-40(36)53-41/h1-28,47H,(H,50,51,52)
InChIKeyWCISPZPBVPXVCX-UHFFFAOYSA-N
MW694.79 g/mol
LogP11.86
Rot. Bonds5

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

1-[2-(2-dibenzofuran-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-b]quinoline (PubChem CID 162035273) has the molecular formula C48H30N4O2 and a molecular weight of 694.79 g/mol. Its IUPAC name is 1-[2-(2-dibenzofuran-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

Compound Name1-[2-(2-dibenzofuran-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-b]quinoline
PubChem CID162035273
Molecular FormulaC48H30N4O2
Molecular Weight694.79 g/mol
Exact Mass694.24
IUPAC Name1-[2-(2-dibenzofuran-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-b]quinoline
SMILESc1ccc(C2=NC(c3cccc4oc5ccccc5c34)NC(c3ccccc3-c3ccc(-c4ccccc4)c4oc5nc6ccccc6cc5c34)=N2)cc1
InChIInChI=1S/C48H30N4O2/c1-3-14-29(15-4-1)32-26-27-34(43-38-28-31-18-7-11-23-39(31)49-48(38)54-44(32)43)33-19-8-9-20-35(33)46-50-45(30-16-5-2-6-17-30)51-47(52-46)37-22-13-25-41-42(37)36-21-10-12-24-40(36)53-41/h1-28,47H,(H,50,51,52)
InChIKeyWCISPZPBVPXVCX-UHFFFAOYSA-N
XLogP11.86
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.79
LogP ≤ 511.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-naphthalen-2-yl-[1]benzofuro[2,3-b]quinoline
CID 163785273
2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250101
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 170249633
6-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenyl-[1]benzofuro[3,2-b]quinoline
CID 166800249
1-[3-(2-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline
CID 166800136
2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 148787787
10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]quinoline
CID 166800231
2-[4-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 163661658
9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenyldibenzofuran-3-amine
CID 170079403
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997
2-dibenzofuran-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170145482
4-dibenzofuran-1-yl-9-[4-[2-[4-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032127

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-dibenzofuran-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-b]quinoline?
The IUPAC name of 1-[2-(2-dibenzofuran-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-b]quinoline (CID 162035273) is 1-[2-(2-dibenzofuran-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-b]quinoline.
What is the SMILES notation for 1-[2-(2-dibenzofuran-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-b]quinoline?
The canonical SMILES for 1-[2-(2-dibenzofuran-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-b]quinoline is c1ccc(C2=NC(c3cccc4oc5ccccc5c34)NC(c3ccccc3-c3ccc(-c4ccccc4)c4oc5nc6ccccc6cc5c34)=N2)cc1.
What is the InChIKey of 1-[2-(2-dibenzofuran-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-b]quinoline?
The InChIKey is WCISPZPBVPXVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4O2/c1-3-14-29(15-4-1)32-26-27-34(43-38-28-31-18-7-11-23-39(31)49-48(38)54-44(32)43)33-19-8-9-20-35(33)46-50-45(30-16-5-2-6-17-30)51-47(52-46)37-22-13-25-41-42(37)36-21-10-12-24-40(36)53-41/h1-28,47H,(H,50,51,52).
What are the key properties of 1-[2-(2-dibenzofuran-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-b]quinoline?
1-[2-(2-dibenzofuran-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-b]quinoline has a molecular weight of 694.79 g/mol, XLogP of 11.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-dibenzofuran-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 162035273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).