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

C48H32N4O2 — CID 166800231

IUPAC10-[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
SMILESc1ccc(C2=NC(c3cccc4oc5ccccc5c34)NC(c3ccccc3-c3ccc(-c4ccccc4)c4oc5cc6cccnc6cc5c34)N2)cc1
InChIInChI=1S/C48H32N4O2/c1-3-13-29(14-4-1)32-24-25-34(44-38-28-39-31(17-12-26-49-39)27-42(38)54-45(32)44)33-18-7-8-19-35(33)47-50-46(30-15-5-2-6-16-30)51-48(52-47)37-21-11-23-41-43(37)36-20-9-10-22-40(36)53-41/h1-28,47-48,52H,(H,50,51)
InChIKeyKYJMMXFIJPGQMT-UHFFFAOYSA-N
MW696.81 g/mol
LogP11.70
Rot. Bonds5

About 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

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 (PubChem CID 166800231) has the molecular formula C48H32N4O2 and a molecular weight of 696.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID166800231
Molecular FormulaC48H32N4O2
Molecular Weight696.81 g/mol
Exact Mass696.25
IUPAC Name10-[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
SMILESc1ccc(C2=NC(c3cccc4oc5ccccc5c34)NC(c3ccccc3-c3ccc(-c4ccccc4)c4oc5cc6cccnc6cc5c34)N2)cc1
InChIInChI=1S/C48H32N4O2/c1-3-13-29(14-4-1)32-24-25-34(44-38-28-39-31(17-12-26-49-39)27-42(38)54-45(32)44)33-18-7-8-19-35(33)47-50-46(30-15-5-2-6-16-30)51-48(52-47)37-21-11-23-41-43(37)36-20-9-10-22-40(36)53-41/h1-28,47-48,52H,(H,50,51)
InChIKeyKYJMMXFIJPGQMT-UHFFFAOYSA-N
XLogP11.70
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.81
LogP ≤ 511.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

10-[6-(2-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 166800216
6-phenanthren-3-yl-4-phenyl-2-[2-(4-phenyldibenzofuran-1-yl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029700
10-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]isoquinoline
CID 166800247
10-[6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 163478482
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
10-[2-(2-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)naphthalen-1-yl]-[1]benzofuro[2,3-g]isoquinoline
CID 166800145
6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline
CID 166502770
10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]-[1]benzofuro[2,3-g]quinoline
CID 159447351
2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163865537
4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029875
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
2-[4-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 156553978

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2=NC(c3cccc4oc5ccccc5c34)NC(c3ccccc3-c3ccc(-c4ccccc4)c4oc5cc6cccnc6cc5c34)N2)cc1.
What is the InChIKey of 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?
The InChIKey is KYJMMXFIJPGQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4O2/c1-3-13-29(14-4-1)32-24-25-34(44-38-28-39-31(17-12-26-49-39)27-42(38)54-45(32)44)33-18-7-8-19-35(33)47-50-46(30-15-5-2-6-16-30)51-48(52-47)37-21-11-23-41-43(37)36-20-9-10-22-40(36)53-41/h1-28,47-48,52H,(H,50,51).
What are the key properties of 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?
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 has a molecular weight of 696.81 g/mol, XLogP of 11.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166800231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).