2,4-dinaphthalen-1-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine

C45H27N3O — CID 163440305

IUPAC2,4-dinaphthalen-1-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)c3c2oc2cc4ccccc4cc23)cc1
InChIInChI=1S/C45H27N3O/c1-2-12-30(13-3-1)35-24-25-38(41-39-26-31-16-4-5-17-32(31)27-40(39)49-42(35)41)45-47-43(36-22-10-18-28-14-6-8-20-33(28)36)46-44(48-45)37-23-11-19-29-15-7-9-21-34(29)37/h1-27H
InChIKeyAXYYAOGDNWNHJW-UHFFFAOYSA-N
MW625.73 g/mol
LogP11.90
Rot. Bonds4

About 2,4-dinaphthalen-1-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine

2,4-dinaphthalen-1-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine (PubChem CID 163440305) has the molecular formula C45H27N3O and a molecular weight of 625.73 g/mol. Its IUPAC name is 2,4-dinaphthalen-1-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-1-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
PubChem CID163440305
Molecular FormulaC45H27N3O
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name2,4-dinaphthalen-1-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)c3c2oc2cc4ccccc4cc23)cc1
InChIInChI=1S/C45H27N3O/c1-2-12-30(13-3-1)35-24-25-38(41-39-26-31-16-4-5-17-32(31)27-40(39)49-42(35)41)45-47-43(36-22-10-18-28-14-6-8-20-33(28)36)46-44(48-45)37-23-11-19-29-15-7-9-21-34(29)37/h1-27H
InChIKeyAXYYAOGDNWNHJW-UHFFFAOYSA-N
XLogP11.90
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.73
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[1-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 169294627
2-phenyl-4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165043590
2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine
CID 159485403
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 168731826
2,4-bis(4-phenylphenyl)-6-[4-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 163672601
2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 165026780
2-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 146660856
2-naphtho[2,3-b][1]benzofuran-2-yl-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 170016984
4-(4-naphthalen-1-ylphenyl)-1-(6-phenylpyren-1-yl)naphtho[2,3-b][1]benzofuran
CID 170939934
2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine;2-naphtho[2,3-b][1]benzofuran-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-naphtho[2,3-b][1]benzofuran-2-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-naphtho[2,3-b][1]benzofuran-3-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-naphtho[2,3-b][1]benzofuran-4-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 163703326
2-naphthalen-2-yl-4-phenanthren-9-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 171755430
2-(4-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166743608

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-1-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-1-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine (CID 163440305) is 2,4-dinaphthalen-1-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-1-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-1-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)c3c2oc2cc4ccccc4cc23)cc1.
What is the InChIKey of 2,4-dinaphthalen-1-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine?
The InChIKey is AXYYAOGDNWNHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-2-12-30(13-3-1)35-24-25-38(41-39-26-31-16-4-5-17-32(31)27-40(39)49-42(35)41)45-47-43(36-22-10-18-28-14-6-8-20-33(28)36)46-44(48-45)37-23-11-19-29-15-7-9-21-34(29)37/h1-27H.
What are the key properties of 2,4-dinaphthalen-1-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine?
2,4-dinaphthalen-1-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine has a molecular weight of 625.73 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinaphthalen-1-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 163440305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).