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

C45H29N3O — CID 163752446

IUPAC2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3=NC(c4ccc5ccccc5c4)=NC(c4ccc5ccccc5c4)N3)c3c2oc2cc4ccccc4cc23)cc1
InChIInChI=1S/C45H29N3O/c1-2-12-30(13-3-1)37-22-23-38(41-39-26-33-16-8-9-17-34(33)27-40(39)49-42(37)41)45-47-43(35-20-18-28-10-4-6-14-31(28)24-35)46-44(48-45)36-21-19-29-11-5-7-15-32(29)25-36/h1-27,43H,(H,46,47,48)
InChIKeyLRDUHVGFGFXWJL-UHFFFAOYSA-N
MW627.75 g/mol
LogP11.21
Rot. Bonds4

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

2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,2-dihydro-1,3,5-triazine (PubChem CID 163752446) has the molecular formula C45H29N3O and a molecular weight of 627.75 g/mol. Its IUPAC name is 2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
PubChem CID163752446
Molecular FormulaC45H29N3O
Molecular Weight627.75 g/mol
Exact Mass627.23
IUPAC Name2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3=NC(c4ccc5ccccc5c4)=NC(c4ccc5ccccc5c4)N3)c3c2oc2cc4ccccc4cc23)cc1
InChIInChI=1S/C45H29N3O/c1-2-12-30(13-3-1)37-22-23-38(41-39-26-33-16-8-9-17-34(33)27-40(39)49-42(37)41)45-47-43(35-20-18-28-10-4-6-14-31(28)24-35)46-44(48-45)36-21-19-29-11-5-7-15-32(29)25-36/h1-27,43H,(H,46,47,48)
InChIKeyLRDUHVGFGFXWJL-UHFFFAOYSA-N
XLogP11.21
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 511.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

12-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 166799978
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 170145449
4-(4-naphthalen-2-ylphenyl)-2-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 156553943
6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 137285203
1-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-naphthalen-2-yl-[1]benzofuro[2,3-b]quinoline
CID 163785273
6-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenyl-[1]benzofuro[3,2-b]quinoline
CID 166800249
4-[3-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166867441
2-naphthalen-2-yl-4-phenanthren-9-yl-6-(8-phenyldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 167029547
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[3-(8-phenyldibenzofuran-1-yl)phenyl]-1,2-dihydro-1,3,5-triazine
CID 167030113
6-(9-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029850
9-dibenzofuran-4-yl-6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 159438429

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,2-dihydro-1,3,5-triazine (CID 163752446) is 2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,2-dihydro-1,3,5-triazine is c1ccc(-c2ccc(C3=NC(c4ccc5ccccc5c4)=NC(c4ccc5ccccc5c4)N3)c3c2oc2cc4ccccc4cc23)cc1.
What is the InChIKey of 2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,2-dihydro-1,3,5-triazine?
The InChIKey is LRDUHVGFGFXWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O/c1-2-12-30(13-3-1)37-22-23-38(41-39-26-33-16-8-9-17-34(33)27-40(39)49-42(37)41)45-47-43(35-20-18-28-10-4-6-14-31(28)24-35)46-44(48-45)36-21-19-29-11-5-7-15-32(29)25-36/h1-27,43H,(H,46,47,48).
What are the key properties of 2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,2-dihydro-1,3,5-triazine?
2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,2-dihydro-1,3,5-triazine has a molecular weight of 627.75 g/mol, XLogP of 11.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 163752446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).