2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine

C43H27N3O — CID 167143892

IUPAC2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)oc3c5ccccc5c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c2)cc1
InChIInChI=1S/C43H27N3O/c1-4-13-28(14-5-1)31-19-12-20-32(25-31)33-23-24-35-37-27-38(34-21-10-11-22-36(34)40(37)47-39(35)26-33)43-45-41(29-15-6-2-7-16-29)44-42(46-43)30-17-8-3-9-18-30/h1-27H
InChIKeyRDVOHFBDJGQZLR-UHFFFAOYSA-N
MW601.71 g/mol
LogP11.26
Rot. Bonds5

About 2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine

2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine (PubChem CID 167143892) has the molecular formula C43H27N3O and a molecular weight of 601.71 g/mol. Its IUPAC name is 2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
PubChem CID167143892
Molecular FormulaC43H27N3O
Molecular Weight601.71 g/mol
Exact Mass601.22
IUPAC Name2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)oc3c5ccccc5c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c2)cc1
InChIInChI=1S/C43H27N3O/c1-4-13-28(14-5-1)31-19-12-20-32(25-31)33-23-24-35-37-27-38(34-21-10-11-22-36(34)40(37)47-39(35)26-33)43-45-41(29-15-6-2-7-16-29)44-42(46-43)30-17-8-3-9-18-30/h1-27H
InChIKeyRDVOHFBDJGQZLR-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

Analyze 2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine with MolForge

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Related Compounds

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-[9-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
CID 169048797
2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176853852
2,4-diphenyl-6-[7-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 166953095
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
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 137496589
2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167143642
2-phenyl-4-(7-phenyldibenzofuran-3-yl)-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 155477108
2-phenyl-4-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-(3-phenylphenyl)pyrimidine
CID 164834762
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-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]pyrimidine
CID 164835302

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine (CID 167143892) is 2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3ccc4c(c3)oc3c5ccccc5c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine?
The InChIKey is RDVOHFBDJGQZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3O/c1-4-13-28(14-5-1)31-19-12-20-32(25-31)33-23-24-35-37-27-38(34-21-10-11-22-36(34)40(37)47-39(35)26-33)43-45-41(29-15-6-2-7-16-29)44-42(46-43)30-17-8-3-9-18-30/h1-27H.
What are the key properties of 2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine?
2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-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 2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine is sourced from PubChem (CID 167143892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).