2-naphthalen-2-yl-4-(4-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine

C45H27N3O — CID 176853576

IUPAC2-naphthalen-2-yl-4-(4-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc4c(-c5cccc6ccccc56)cccc4c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C45H27N3O/c1-2-14-30(15-3-1)43-46-44(32-25-24-28-12-4-5-16-31(28)26-32)48-45(47-43)39-27-38-35(34-20-10-17-29-13-6-7-18-33(29)34)21-11-22-36(38)42-41(39)37-19-8-9-23-40(37)49-42/h1-27H
InChIKeyKPMLKYLGDPVWJM-UHFFFAOYSA-N
MW625.73 g/mol
LogP11.90
Rot. Bonds4

About 2-naphthalen-2-yl-4-(4-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine

2-naphthalen-2-yl-4-(4-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine (PubChem CID 176853576) has the molecular formula C45H27N3O and a molecular weight of 625.73 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(4-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(4-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine
PubChem CID176853576
Molecular FormulaC45H27N3O
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name2-naphthalen-2-yl-4-(4-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc4c(-c5cccc6ccccc56)cccc4c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C45H27N3O/c1-2-14-30(15-3-1)43-46-44(32-25-24-28-12-4-5-16-31(28)26-32)48-45(47-43)39-27-38-35(34-20-10-17-29-13-6-7-18-33(29)34)21-11-22-36(38)42-41(39)37-19-8-9-23-40(37)49-42/h1-27H
InChIKeyKPMLKYLGDPVWJM-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-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176853832
2-(4-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166743608
2-dibenzofuran-1-yl-4-(4-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853965
2-(4-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853535
2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742796
2-naphthalen-2-yl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853985
2-naphthalen-2-yl-4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853968
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742525
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(6-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 176617093
2-(4-dibenzofuran-4-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164821795
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164737117

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(4-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-(4-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine (CID 176853576) is 2-naphthalen-2-yl-4-(4-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(4-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-(4-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc4c(-c5cccc6ccccc56)cccc4c4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-(4-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is KPMLKYLGDPVWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-2-14-30(15-3-1)43-46-44(32-25-24-28-12-4-5-16-31(28)26-32)48-45(47-43)39-27-38-35(34-20-10-17-29-13-6-7-18-33(29)34)21-11-22-36(38)42-41(39)37-19-8-9-23-40(37)49-42/h1-27H.
What are the key properties of 2-naphthalen-2-yl-4-(4-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine?
2-naphthalen-2-yl-4-(4-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-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-naphthalen-2-yl-4-(4-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 176853576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).