2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine

C49H29N3O2 — CID 166741524

IUPAC2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6c(-c7ccc8c(c7)oc7ccccc78)cccc6c45)n3)cc2)cc1
InChIInChI=1S/C49H29N3O2/c1-2-10-30(11-3-1)32-20-23-33(24-21-32)47-50-48(36-25-22-31-12-4-5-13-34(31)28-36)52-49(51-47)41-17-9-19-43-45(41)40-16-8-15-37(46(40)54-43)35-26-27-39-38-14-6-7-18-42(38)53-44(39)29-35/h1-29H
InChIKeyVHHZVLOIFVCLCT-UHFFFAOYSA-N
MW691.79 g/mol
LogP13.16
Rot. Bonds5

About 2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine

2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 166741524) has the molecular formula C49H29N3O2 and a molecular weight of 691.79 g/mol. Its IUPAC name is 2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID166741524
Molecular FormulaC49H29N3O2
Molecular Weight691.79 g/mol
Exact Mass691.23
IUPAC Name2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6c(-c7ccc8c(c7)oc7ccccc78)cccc6c45)n3)cc2)cc1
InChIInChI=1S/C49H29N3O2/c1-2-10-30(11-3-1)32-20-23-33(24-21-32)47-50-48(36-25-22-31-12-4-5-13-34(31)28-36)52-49(51-47)41-17-9-19-43-45(41)40-16-8-15-37(46(40)54-43)35-26-27-39-38-14-6-7-18-42(38)53-44(39)29-35/h1-29H
InChIKeyVHHZVLOIFVCLCT-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-dibenzofuran-3-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741074
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742622
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743569
2-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 166742466
2-naphthalen-2-yl-4-[6-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808335
2,4-dinaphthalen-2-yl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742620
2-(4-naphthalen-2-ylphenyl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808228
2-naphthalen-2-yl-4-phenanthren-2-yl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741408
2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743379
2-dibenzofuran-3-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 166952205
2-[3-(9-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 153215497
2-dibenzofuran-3-yl-4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 176765102

Frequently Asked Questions

What is the IUPAC name of 2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine (CID 166741524) is 2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6c(-c7ccc8c(c7)oc7ccccc78)cccc6c45)n3)cc2)cc1.
What is the InChIKey of 2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is VHHZVLOIFVCLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O2/c1-2-10-30(11-3-1)32-20-23-33(24-21-32)47-50-48(36-25-22-31-12-4-5-13-34(31)28-36)52-49(51-47)41-17-9-19-43-45(41)40-16-8-15-37(46(40)54-43)35-26-27-39-38-14-6-7-18-42(38)53-44(39)29-35/h1-29H.
What are the key properties of 2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine?
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-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-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 166741524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).