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

C45H27N3O — CID 163675937

IUPAC2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6c(c5)oc5cc7ccccc7cc56)n4)cc3)ccc2c1
InChIInChI=1S/C45H27N3O/c1-3-9-32-23-36(19-15-28(32)7-1)30-13-17-31(18-14-30)43-46-44(37-20-16-29-8-2-4-10-33(29)24-37)48-45(47-43)38-21-22-39-40-25-34-11-5-6-12-35(34)26-42(40)49-41(39)27-38/h1-27H
InChIKeyIJKFVTHWWDAGRE-UHFFFAOYSA-N
MW625.73 g/mol
LogP11.90
Rot. Bonds4

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

2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazine (PubChem CID 163675937) 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-2-ylphenyl)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazine
PubChem CID163675937
Molecular FormulaC45H27N3O
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6c(c5)oc5cc7ccccc7cc56)n4)cc3)ccc2c1
InChIInChI=1S/C45H27N3O/c1-3-9-32-23-36(19-15-28(32)7-1)30-13-17-31(18-14-30)43-46-44(37-20-16-29-8-2-4-10-33(29)24-37)48-45(47-43)38-21-22-39-40-25-34-11-5-6-12-35(34)26-42(40)49-41(39)27-38/h1-27H
InChIKeyIJKFVTHWWDAGRE-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-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-3-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 146919730
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170213966
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170213969
2-naphtho[2,3-b][1]benzofuran-3-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163563632
2-(7-naphthalen-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 142491219
2-(8-naphthalen-2-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167402984
2,4-dinaphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 163653920
2-dibenzofuran-3-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 139571676
2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616855
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174208962
2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163505660
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177119872

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazine (CID 163675937) is 2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazine is c1ccc2cc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6c(c5)oc5cc7ccccc7cc56)n4)cc3)ccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazine?
The InChIKey is IJKFVTHWWDAGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-3-9-32-23-36(19-15-28(32)7-1)30-13-17-31(18-14-30)43-46-44(37-20-16-29-8-2-4-10-33(29)24-37)48-45(47-43)38-21-22-39-40-25-34-11-5-6-12-35(34)26-42(40)49-41(39)27-38/h1-27H.
What are the key properties of 2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazine?
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,3-b][1]benzofuran-3-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-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazine is sourced from PubChem (CID 163675937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).