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

C46H30N4O2 — CID 166800145

IUPAC10-[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
SMILESc1ccc(C2=NC(c3ccc4ccccc4c3-c3cccc4oc5cc6ccncc6cc5c34)NC(c3cccc4oc5ccccc5c34)N2)cc1
InChIInChI=1S/C46H30N4O2/c1-2-11-28(12-3-1)44-48-45(34-16-9-19-38-42(34)32-14-6-7-17-37(32)51-38)50-46(49-44)35-21-20-27-10-4-5-13-31(27)41(35)33-15-8-18-39-43(33)36-24-30-26-47-23-22-29(30)25-40(36)52-39/h1-26,45-46,50H,(H,48,49)
InChIKeyPQGSDLOFEYLYMG-UHFFFAOYSA-N
MW670.77 g/mol
LogP11.19
Rot. Bonds4

About 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

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 (PubChem CID 166800145) has the molecular formula C46H30N4O2 and a molecular weight of 670.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID166800145
Molecular FormulaC46H30N4O2
Molecular Weight670.77 g/mol
Exact Mass670.24
IUPAC Name10-[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
SMILESc1ccc(C2=NC(c3ccc4ccccc4c3-c3cccc4oc5cc6ccncc6cc5c34)NC(c3cccc4oc5ccccc5c34)N2)cc1
InChIInChI=1S/C46H30N4O2/c1-2-11-28(12-3-1)44-48-45(34-16-9-19-38-42(34)32-14-6-7-17-37(32)51-38)50-46(49-44)35-21-20-27-10-4-5-13-31(27)41(35)33-15-8-18-39-43(33)36-24-30-26-47-23-22-29(30)25-40(36)52-39/h1-26,45-46,50H,(H,48,49)
InChIKeyPQGSDLOFEYLYMG-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 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 with MolForge

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Related Compounds

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
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
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
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
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-[1-(4-dibenzofuran-1-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]isoquinoline
CID 163500503
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
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
6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 166502297
4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029875
4-dibenzofuran-4-yl-6-phenanthren-2-yl-2-(8-phenyldibenzofuran-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029951
7-dibenzothiophen-1-yl-9-(4-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
CID 166802061

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2=NC(c3ccc4ccccc4c3-c3cccc4oc5cc6ccncc6cc5c34)NC(c3cccc4oc5ccccc5c34)N2)cc1.
What is the InChIKey of 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?
The InChIKey is PQGSDLOFEYLYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4O2/c1-2-11-28(12-3-1)44-48-45(34-16-9-19-38-42(34)32-14-6-7-17-37(32)51-38)50-46(49-44)35-21-20-27-10-4-5-13-31(27)41(35)33-15-8-18-39-43(33)36-24-30-26-47-23-22-29(30)25-40(36)52-39/h1-26,45-46,50H,(H,48,49).
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 166800145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).