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

C43H27N3O — CID 170927804

IUPAC2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccc6ccccc6c5)c4)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C43H27N3O/c1-2-11-28(12-3-1)31-15-8-17-34(26-31)41-44-42(35-18-9-16-32(27-35)33-24-23-29-13-4-5-14-30(29)25-33)46-43(45-41)37-20-10-22-39-40(37)36-19-6-7-21-38(36)47-39/h1-27H
InChIKeyTWXSZZWEQRGTHW-UHFFFAOYSA-N
MW601.71 g/mol
LogP11.26
Rot. Bonds5

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

2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 170927804) has the molecular formula C43H27N3O and a molecular weight of 601.71 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID170927804
Molecular FormulaC43H27N3O
Molecular Weight601.71 g/mol
Exact Mass601.22
IUPAC Name2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccc6ccccc6c5)c4)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C43H27N3O/c1-2-11-28(12-3-1)31-15-8-17-34(26-31)41-44-42(35-18-9-16-32(27-35)33-24-23-29-13-4-5-14-30(29)25-33)46-43(45-41)37-20-10-22-39-40(37)36-19-6-7-21-38(36)47-39/h1-27H
InChIKeyTWXSZZWEQRGTHW-UHFFFAOYSA-N
XLogP11.26
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534
2-dibenzofuran-1-yl-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 162504507
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
2-dibenzofuran-1-yl-4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 169053839
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741628
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171607713
2-dibenzofuran-1-yl-4-[3-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 176766280
2-dibenzofuran-1-yl-4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
CID 169053906
2-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134198448
2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170016833
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine (CID 170927804) is 2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccc6ccccc6c5)c4)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is TWXSZZWEQRGTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3O/c1-2-11-28(12-3-1)31-15-8-17-34(26-31)41-44-42(35-18-9-16-32(27-35)33-24-23-29-13-4-5-14-30(29)25-33)46-43(45-41)37-20-10-22-39-40(37)36-19-6-7-21-38(36)47-39/h1-27H.
What are the key properties of 2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 601.71 g/mol, XLogP of 11.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170927804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).