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

C46H30N4O2 — CID 166800216

IUPAC10-[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
SMILESc1ccc(C2=NC(c3ccc4cc(-c5cccc6oc7cc8cccnc8cc7c56)ccc4c3)NC(c3cccc4oc5ccccc5c34)N2)cc1
InChIInChI=1S/C46H30N4O2/c1-2-9-27(10-3-1)44-48-45(50-46(49-44)35-14-7-17-40-43(35)34-12-4-5-15-38(34)51-40)32-21-19-28-23-30(20-18-29(28)24-32)33-13-6-16-39-42(33)36-26-37-31(11-8-22-47-37)25-41(36)52-39/h1-26,45-46,50H,(H,48,49)
InChIKeyBLZAROQKQKVLKR-UHFFFAOYSA-N
MW670.77 g/mol
LogP11.19
Rot. Bonds4

About 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

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 (PubChem CID 166800216) has the molecular formula C46H30N4O2 and a molecular weight of 670.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID166800216
Molecular FormulaC46H30N4O2
Molecular Weight670.77 g/mol
Exact Mass670.24
IUPAC Name10-[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
SMILESc1ccc(C2=NC(c3ccc4cc(-c5cccc6oc7cc8cccnc8cc7c56)ccc4c3)NC(c3cccc4oc5ccccc5c34)N2)cc1
InChIInChI=1S/C46H30N4O2/c1-2-9-27(10-3-1)44-48-45(50-46(49-44)35-14-7-17-40-43(35)34-12-4-5-15-38(34)51-40)32-21-19-28-23-30(20-18-29(28)24-32)33-13-6-16-39-42(33)36-26-37-31(11-8-22-47-37)25-41(36)52-39/h1-26,45-46,50H,(H,48,49)
InChIKeyBLZAROQKQKVLKR-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-[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 with MolForge

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Related Compounds

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
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
4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029875
2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167038129
4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 134198760
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
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-[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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2=NC(c3ccc4cc(-c5cccc6oc7cc8cccnc8cc7c56)ccc4c3)NC(c3cccc4oc5ccccc5c34)N2)cc1.
What is the InChIKey of 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?
The InChIKey is BLZAROQKQKVLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4O2/c1-2-9-27(10-3-1)44-48-45(50-46(49-44)35-14-7-17-40-43(35)34-12-4-5-15-38(34)51-40)32-21-19-28-23-30(20-18-29(28)24-32)33-13-6-16-39-42(33)36-26-37-31(11-8-22-47-37)25-41(36)52-39/h1-26,45-46,50H,(H,48,49).
What are the key properties of 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?
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 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-[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 is sourced from PubChem (CID 166800216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).