2-(10-dibenzofuran-4-ylnaphtho[2,1-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C49H29N3O2 — CID 156558260

IUPAC2-(10-dibenzofuran-4-ylnaphtho[2,1-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc5oc6ccc(-c7cccc8c7oc7ccccc78)cc6c5c5ccccc45)n3)c2)cc1
InChIInChI=1S/C49H29N3O2/c1-3-13-30(14-4-1)32-17-11-18-34(27-32)48-50-47(31-15-5-2-6-16-31)51-49(52-48)40-29-44-45(38-21-8-7-19-36(38)40)41-28-33(25-26-43(41)53-44)35-22-12-23-39-37-20-9-10-24-42(37)54-46(35)39/h1-29H
InChIKeyOHWPTGBERGFKOD-UHFFFAOYSA-N
MW691.79 g/mol
LogP13.16
Rot. Bonds5

About 2-(10-dibenzofuran-4-ylnaphtho[2,1-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

2-(10-dibenzofuran-4-ylnaphtho[2,1-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 156558260) has the molecular formula C49H29N3O2 and a molecular weight of 691.79 g/mol. Its IUPAC name is 2-(10-dibenzofuran-4-ylnaphtho[2,1-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(10-dibenzofuran-4-ylnaphtho[2,1-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID156558260
Molecular FormulaC49H29N3O2
Molecular Weight691.79 g/mol
Exact Mass691.23
IUPAC Name2-(10-dibenzofuran-4-ylnaphtho[2,1-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc5oc6ccc(-c7cccc8c7oc7ccccc78)cc6c5c5ccccc45)n3)c2)cc1
InChIInChI=1S/C49H29N3O2/c1-3-13-30(14-4-1)32-17-11-18-34(27-32)48-50-47(31-15-5-2-6-16-31)51-49(52-48)40-29-44-45(38-21-8-7-19-36(38)40)41-28-33(25-26-43(41)53-44)35-22-12-23-39-37-20-9-10-24-42(37)54-46(35)39/h1-29H
InChIKeyOHWPTGBERGFKOD-UHFFFAOYSA-N
XLogP13.16
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.79
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 134199171
2-dibenzofuran-4-yl-4-phenyl-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199121
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 147201996
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[2-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-[3-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 158497651
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651034
2,4-diphenyl-6-[6-[3-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952873
2-(10-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 167143797
2-dibenzofuran-3-yl-4-[3-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850264
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-dibenzofuran-4-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198762
2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 148688171
2-phenyl-4-[6-(4-phenylphenyl)dibenzofuran-2-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797229

Frequently Asked Questions

What is the IUPAC name of 2-(10-dibenzofuran-4-ylnaphtho[2,1-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(10-dibenzofuran-4-ylnaphtho[2,1-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 156558260) is 2-(10-dibenzofuran-4-ylnaphtho[2,1-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(10-dibenzofuran-4-ylnaphtho[2,1-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(10-dibenzofuran-4-ylnaphtho[2,1-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc5oc6ccc(-c7cccc8c7oc7ccccc78)cc6c5c5ccccc45)n3)c2)cc1.
What is the InChIKey of 2-(10-dibenzofuran-4-ylnaphtho[2,1-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is OHWPTGBERGFKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O2/c1-3-13-30(14-4-1)32-17-11-18-34(27-32)48-50-47(31-15-5-2-6-16-31)51-49(52-48)40-29-44-45(38-21-8-7-19-36(38)40)41-28-33(25-26-43(41)53-44)35-22-12-23-39-37-20-9-10-24-42(37)54-46(35)39/h1-29H.
What are the key properties of 2-(10-dibenzofuran-4-ylnaphtho[2,1-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-(10-dibenzofuran-4-ylnaphtho[2,1-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 691.79 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-dibenzofuran-4-ylnaphtho[2,1-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 156558260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).