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

C49H29N3O2 — CID 171445645

IUPAC2-dibenzofuran-1-yl-4-(6-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccccc2-c2nc(-c3cccc4cc(-c5cccc6oc7ccccc7c56)ccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C49H29N3O2/c1-2-13-30(14-3-1)33-16-4-5-17-36(33)47-50-48(52-49(51-47)40-22-12-26-44-46(40)39-19-7-9-24-42(39)54-44)37-21-10-15-31-29-32(27-28-34(31)37)35-20-11-25-43-45(35)38-18-6-8-23-41(38)53-43/h1-29H
InChIKeyAPZPPFPVPACUAE-UHFFFAOYSA-N
MW691.79 g/mol
LogP13.16
Rot. Bonds5

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

2-dibenzofuran-1-yl-4-(6-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 171445645) has the molecular formula C49H29N3O2 and a molecular weight of 691.79 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(6-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(6-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
PubChem CID171445645
Molecular FormulaC49H29N3O2
Molecular Weight691.79 g/mol
Exact Mass691.23
IUPAC Name2-dibenzofuran-1-yl-4-(6-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccccc2-c2nc(-c3cccc4cc(-c5cccc6oc7ccccc7c56)ccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C49H29N3O2/c1-2-13-30(14-3-1)33-16-4-5-17-36(33)47-50-48(52-49(51-47)40-22-12-26-44-46(40)39-19-7-9-24-42(39)54-44)37-21-10-15-31-29-32(27-28-34(31)37)35-20-11-25-43-45(35)38-18-6-8-23-41(38)53-43/h1-29H
InChIKeyAPZPPFPVPACUAE-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-1-yl-4-phenyl-6-[6-(6-phenyldibenzoselenophen-4-yl)naphthalen-1-yl]-1,3,5-triazine
CID 164943663
2-dibenzofuran-1-yl-4-phenyl-6-[5-(6-phenylnaphthalen-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 176766233
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171607685
2-(6-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164737139
2-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-(2-naphthalen-2-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 171731179
2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164942447
2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 171445503
2-(9-phenyldibenzofuran-3-yl)-4-(6-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164797611
2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(6-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(6-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 165097425
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163961134
2-(7-dibenzofuran-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741824
2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine
CID 170213995

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(6-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(6-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine (CID 171445645) is 2-dibenzofuran-1-yl-4-(6-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(6-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(6-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccccc2-c2nc(-c3cccc4cc(-c5cccc6oc7ccccc7c56)ccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(6-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is APZPPFPVPACUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O2/c1-2-13-30(14-3-1)33-16-4-5-17-36(33)47-50-48(52-49(51-47)40-22-12-26-44-46(40)39-19-7-9-24-42(39)54-44)37-21-10-15-31-29-32(27-28-34(31)37)35-20-11-25-43-45(35)38-18-6-8-23-41(38)53-43/h1-29H.
What are the key properties of 2-dibenzofuran-1-yl-4-(6-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-(6-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2-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-dibenzofuran-1-yl-4-(6-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 171445645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).