2,4-dinaphthalen-2-yl-6-(11-phenylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3,5-triazine

C45H27N3O — CID 177131008

IUPAC2,4-dinaphthalen-2-yl-6-(11-phenylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)cc3oc4ccc5ccccc5c4c23)cc1
InChIInChI=1S/C45H27N3O/c1-2-12-30(13-3-1)38-26-36(27-40-42(38)41-37-17-9-8-14-31(37)22-23-39(41)49-40)45-47-43(34-20-18-28-10-4-6-15-32(28)24-34)46-44(48-45)35-21-19-29-11-5-7-16-33(29)25-35/h1-27H
InChIKeyXCGSTVJUTPWZGV-UHFFFAOYSA-N
MW625.73 g/mol
LogP11.90
Rot. Bonds4

About 2,4-dinaphthalen-2-yl-6-(11-phenylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3,5-triazine

2,4-dinaphthalen-2-yl-6-(11-phenylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3,5-triazine (PubChem CID 177131008) has the molecular formula C45H27N3O and a molecular weight of 625.73 g/mol. Its IUPAC name is 2,4-dinaphthalen-2-yl-6-(11-phenylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-2-yl-6-(11-phenylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3,5-triazine
PubChem CID177131008
Molecular FormulaC45H27N3O
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name2,4-dinaphthalen-2-yl-6-(11-phenylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)cc3oc4ccc5ccccc5c4c23)cc1
InChIInChI=1S/C45H27N3O/c1-2-12-30(13-3-1)38-26-36(27-40-42(38)41-37-17-9-8-14-31(37)22-23-39(41)49-40)45-47-43(34-20-18-28-10-4-6-15-32(28)24-34)46-44(48-45)35-21-19-29-11-5-7-16-33(29)25-35/h1-27H
InChIKeyXCGSTVJUTPWZGV-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-2-yl-6-(11-phenylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-(9-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 177130834
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259678
2-(4-naphthalen-2-ylphenyl)-4-(1-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 174259770
2-(3,5-diphenylphenyl)-4-(1-phenyldibenzofuran-3-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174259859
2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
CID 171754207
2-chrysen-2-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174259613
2-dibenzofuran-1-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 177130847
2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
CID 166867385
2-[9-(4-dibenzofuran-3-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 167424104
2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine
CID 167402160
N-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline
CID 156554104
2,4-diphenyl-6-[1-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine
CID 171757250

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-2-yl-6-(11-phenylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-2-yl-6-(11-phenylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3,5-triazine (CID 177131008) is 2,4-dinaphthalen-2-yl-6-(11-phenylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-2-yl-6-(11-phenylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-2-yl-6-(11-phenylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3,5-triazine is c1ccc(-c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)cc3oc4ccc5ccccc5c4c23)cc1.
What is the InChIKey of 2,4-dinaphthalen-2-yl-6-(11-phenylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3,5-triazine?
The InChIKey is XCGSTVJUTPWZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-2-12-30(13-3-1)38-26-36(27-40-42(38)41-37-17-9-8-14-31(37)22-23-39(41)49-40)45-47-43(34-20-18-28-10-4-6-15-32(28)24-34)46-44(48-45)35-21-19-29-11-5-7-16-33(29)25-35/h1-27H.
What are the key properties of 2,4-dinaphthalen-2-yl-6-(11-phenylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3,5-triazine?
2,4-dinaphthalen-2-yl-6-(11-phenylnaphtho[2,1-b][1]benzofuran-9-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-2-yl-6-(11-phenylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3,5-triazine is sourced from PubChem (CID 177131008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).