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

C41H25N3O — CID 171054302

IUPAC2-(4-dibenzofuran-1-ylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)nc(-c4cccc5ccccc45)n3)ccc2c1
InChIInChI=1S/C41H25N3O/c1-2-11-30-25-31(24-19-26(30)9-1)40-42-39(43-41(44-40)34-16-7-12-27-10-3-4-13-32(27)34)29-22-20-28(21-23-29)33-15-8-18-37-38(33)35-14-5-6-17-36(35)45-37/h1-25H
InChIKeyULBWBYKGPYRFCU-UHFFFAOYSA-N
MW575.67 g/mol
LogP10.75
Rot. Bonds4

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

2-(4-dibenzofuran-1-ylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 171054302) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 2-(4-dibenzofuran-1-ylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-dibenzofuran-1-ylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID171054302
Molecular FormulaC41H25N3O
Molecular Weight575.67 g/mol
Exact Mass575.20
IUPAC Name2-(4-dibenzofuran-1-ylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)nc(-c4cccc5ccccc45)n3)ccc2c1
InChIInChI=1S/C41H25N3O/c1-2-11-30-25-31(24-19-26(30)9-1)40-42-39(43-41(44-40)34-16-7-12-27-10-3-4-13-32(27)34)29-22-20-28(21-23-29)33-15-8-18-37-38(33)35-14-5-6-17-36(35)45-37/h1-25H
InChIKeyULBWBYKGPYRFCU-UHFFFAOYSA-N
XLogP10.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743692
2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 146918323
2-(6-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164737139
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 171607648
2-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 171731191
2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743109
2-naphthalen-1-yl-4-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 164798033
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
2-(3-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172545501
2-naphthalen-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 176616874
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-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 171731278

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-1-ylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(4-dibenzofuran-1-ylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine (CID 171054302) is 2-(4-dibenzofuran-1-ylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(4-dibenzofuran-1-ylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(4-dibenzofuran-1-ylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine is c1ccc2cc(-c3nc(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)nc(-c4cccc5ccccc45)n3)ccc2c1.
What is the InChIKey of 2-(4-dibenzofuran-1-ylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is ULBWBYKGPYRFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-2-11-30-25-31(24-19-26(30)9-1)40-42-39(43-41(44-40)34-16-7-12-27-10-3-4-13-32(27)34)29-22-20-28(21-23-29)33-15-8-18-37-38(33)35-14-5-6-17-36(35)45-37/h1-25H.
What are the key properties of 2-(4-dibenzofuran-1-ylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine?
2-(4-dibenzofuran-1-ylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 575.67 g/mol, XLogP of 10.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-1-ylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 171054302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).