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

C46H30N4O2 — CID 166800136

IUPAC1-[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
SMILESc1ccc(C2=NC(c3cc4ccccc4cc3-c3cccc4oc5nc6ccccc6cc5c34)NC(c3cccc4oc5ccccc5c34)N2)cc1
InChIInChI=1S/C46H30N4O2/c1-2-12-27(13-3-1)43-48-44(33-19-11-22-39-42(33)32-17-7-9-21-38(32)51-39)50-45(49-43)35-25-29-15-5-4-14-28(29)24-34(35)31-18-10-23-40-41(31)36-26-30-16-6-8-20-37(30)47-46(36)52-40/h1-26,44-45,50H,(H,48,49)
InChIKeyKMSSKPVEWUAPGW-UHFFFAOYSA-N
MW670.77 g/mol
LogP11.19
Rot. Bonds4

About 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

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 (PubChem CID 166800136) has the molecular formula C46H30N4O2 and a molecular weight of 670.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID166800136
Molecular FormulaC46H30N4O2
Molecular Weight670.77 g/mol
Exact Mass670.24
IUPAC Name1-[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
SMILESc1ccc(C2=NC(c3cc4ccccc4cc3-c3cccc4oc5nc6ccccc6cc5c34)NC(c3cccc4oc5ccccc5c34)N2)cc1
InChIInChI=1S/C46H30N4O2/c1-2-12-27(13-3-1)43-48-44(33-19-11-22-39-42(33)32-17-7-9-21-38(32)51-39)50-45(49-43)35-25-29-15-5-4-14-28(29)24-34(35)31-18-10-23-40-41(31)36-26-30-16-6-8-20-37(30)47-46(36)52-40/h1-26,44-45,50H,(H,48,49)
InChIKeyKMSSKPVEWUAPGW-UHFFFAOYSA-N
XLogP11.19
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.77
LogP ≤ 511.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 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

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
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
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
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
5-(2-dibenzofuran-1-yl-4-phenanthren-9-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-[1]benzofuro[2,3-c]pyridine
CID 166801343
4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029875
12-[4-(4-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaene
CID 166799997
6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline
CID 166800197
2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146544048
2-(2-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029335
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-dibenzofuran-4-yl-6-phenanthren-2-yl-2-(8-phenyldibenzofuran-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029951

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2=NC(c3cc4ccccc4cc3-c3cccc4oc5nc6ccccc6cc5c34)NC(c3cccc4oc5ccccc5c34)N2)cc1.
What is the InChIKey of 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?
The InChIKey is KMSSKPVEWUAPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4O2/c1-2-12-27(13-3-1)43-48-44(33-19-11-22-39-42(33)32-17-7-9-21-38(32)51-39)50-45(49-43)35-25-29-15-5-4-14-28(29)24-34(35)31-18-10-23-40-41(31)36-26-30-16-6-8-20-37(30)47-46(36)52-40/h1-26,44-45,50H,(H,48,49).
What are the key properties of 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?
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 has a molecular weight of 670.77 g/mol, XLogP of 11.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166800136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).