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

C43H27N3O — CID 176853852

IUPAC2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc5c6ccccc6oc5c5ccc(-c6ccccc6)cc45)n3)c2)cc1
InChIInChI=1S/C43H27N3O/c1-4-13-28(14-5-1)31-19-12-20-33(25-31)42-44-41(30-17-8-3-9-18-30)45-43(46-42)38-27-37-34-21-10-11-22-39(34)47-40(37)35-24-23-32(26-36(35)38)29-15-6-2-7-16-29/h1-27H
InChIKeyOMISRZHVKILQFL-UHFFFAOYSA-N
MW601.71 g/mol
LogP11.26
Rot. Bonds5

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

2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 176853852) has the molecular formula C43H27N3O and a molecular weight of 601.71 g/mol. Its IUPAC name is 2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID176853852
Molecular FormulaC43H27N3O
Molecular Weight601.71 g/mol
Exact Mass601.22
IUPAC Name2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc5c6ccccc6oc5c5ccc(-c6ccccc6)cc45)n3)c2)cc1
InChIInChI=1S/C43H27N3O/c1-4-13-28(14-5-1)31-19-12-20-33(25-31)42-44-41(30-17-8-3-9-18-30)45-43(46-42)38-27-37-34-21-10-11-22-39(34)47-40(37)35-24-23-32(26-36(35)38)29-15-6-2-7-16-29/h1-27H
InChIKeyOMISRZHVKILQFL-UHFFFAOYSA-N
XLogP11.26
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-4-yl-4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176853479
2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 167143892
2,4-diphenyl-6-[4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176853604
2-phenyl-4-(4-phenylphenyl)-6-[3-[9-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-1,3,5-triazine
CID 176817791
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-[4-(3,5-diphenylphenyl)phenyl]-4-naphtho[1,2-b][1]benzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 154948000
2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176853796
2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176818440
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176853511
2-phenyl-4-(3-phenylphenyl)-6-[4-(5-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-1,3,5-triazine
CID 164834752
2-dibenzofuran-4-yl-4-phenyl-6-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-1,3,5-triazine
CID 176817867
2-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176817775

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine (CID 176853852) is 2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc5c6ccccc6oc5c5ccc(-c6ccccc6)cc45)n3)c2)cc1.
What is the InChIKey of 2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is OMISRZHVKILQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3O/c1-4-13-28(14-5-1)31-19-12-20-33(25-31)42-44-41(30-17-8-3-9-18-30)45-43(46-42)38-27-37-34-21-10-11-22-39(34)47-40(37)35-24-23-32(26-36(35)38)29-15-6-2-7-16-29/h1-27H.
What are the key properties of 2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 601.71 g/mol, XLogP of 11.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 176853852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).