2,4-dinaphthalen-1-yl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine

C45H27N3O — CID 169048730

IUPAC2,4-dinaphthalen-1-yl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
SMILESc1ccc(-c2cccc3oc4c5ccccc5c(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cc4c23)cc1
InChIInChI=1S/C45H27N3O/c1-2-13-30(14-3-1)33-23-12-26-40-41(33)39-27-38(34-21-8-9-22-35(34)42(39)49-40)45-47-43(36-24-10-17-28-15-4-6-19-31(28)36)46-44(48-45)37-25-11-18-29-16-5-7-20-32(29)37/h1-27H
InChIKeyQUQBRYRYLMMBBG-UHFFFAOYSA-N
MW625.73 g/mol
LogP11.90
Rot. Bonds4

About 2,4-dinaphthalen-1-yl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine

2,4-dinaphthalen-1-yl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine (PubChem CID 169048730) has the molecular formula C45H27N3O and a molecular weight of 625.73 g/mol. Its IUPAC name is 2,4-dinaphthalen-1-yl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-1-yl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
PubChem CID169048730
Molecular FormulaC45H27N3O
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name2,4-dinaphthalen-1-yl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
SMILESc1ccc(-c2cccc3oc4c5ccccc5c(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cc4c23)cc1
InChIInChI=1S/C45H27N3O/c1-2-13-30(14-3-1)33-23-12-26-40-41(33)39-27-38(34-21-8-9-22-35(34)42(39)49-40)45-47-43(36-24-10-17-28-15-4-6-19-31(28)36)46-44(48-45)37-25-11-18-29-16-5-7-20-32(29)37/h1-27H
InChIKeyQUQBRYRYLMMBBG-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

Analyze 2,4-dinaphthalen-1-yl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-phenanthren-9-yl-4-phenyl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176818333
2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 176818468
2-dibenzofuran-4-yl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818511
2-chrysen-3-yl-4-phenyl-6-[7-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 176817888
2-dibenzofuran-1-yl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176818397
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 176844516
2-dibenzofuran-1-yl-4-naphthalen-1-yl-6-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176818146
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176853832
2-dibenzofuran-4-yl-4-naphthalen-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112899
2,4-dinaphthalen-2-yl-6-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)naphthalen-1-yl]-1,3,5-triazine
CID 176817948
2-[4-[5-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818532
2-naphthalen-1-yl-4-naphthalen-2-yl-6-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 176818688

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-1-yl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-1-yl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine (CID 169048730) is 2,4-dinaphthalen-1-yl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-1-yl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-1-yl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine is c1ccc(-c2cccc3oc4c5ccccc5c(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cc4c23)cc1.
What is the InChIKey of 2,4-dinaphthalen-1-yl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine?
The InChIKey is QUQBRYRYLMMBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-2-13-30(14-3-1)33-23-12-26-40-41(33)39-27-38(34-21-8-9-22-35(34)42(39)49-40)45-47-43(36-24-10-17-28-15-4-6-19-31(28)36)46-44(48-45)37-25-11-18-29-16-5-7-20-32(29)37/h1-27H.
What are the key properties of 2,4-dinaphthalen-1-yl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine?
2,4-dinaphthalen-1-yl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-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-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine is sourced from PubChem (CID 169048730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).