2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-1,3,5-triazine

C43H27N3O — CID 167403219

IUPAC2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cc4oc5c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc5c4c4ccccc34)c2)cc1
InChIInChI=1S/C43H27N3O/c1-4-14-28(15-5-1)31-20-12-21-32(26-31)37-27-38-39(34-23-11-10-22-33(34)37)35-24-13-25-36(40(35)47-38)43-45-41(29-16-6-2-7-17-29)44-42(46-43)30-18-8-3-9-19-30/h1-27H
InChIKeyICOJHLNVJYABEL-UHFFFAOYSA-N
MW601.71 g/mol
LogP11.26
Rot. Bonds5

About 2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-1,3,5-triazine

2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-1,3,5-triazine (PubChem CID 167403219) has the molecular formula C43H27N3O and a molecular weight of 601.71 g/mol. Its IUPAC name is 2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-1,3,5-triazine
PubChem CID167403219
Molecular FormulaC43H27N3O
Molecular Weight601.71 g/mol
Exact Mass601.22
IUPAC Name2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cc4oc5c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc5c4c4ccccc34)c2)cc1
InChIInChI=1S/C43H27N3O/c1-4-14-28(15-5-1)31-20-12-21-32(26-31)37-27-38-39(34-23-11-10-22-33(34)37)35-24-13-25-36(40(35)47-38)43-45-41(29-16-6-2-7-17-29)44-42(46-43)30-18-8-3-9-19-30/h1-27H
InChIKeyICOJHLNVJYABEL-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-(4-phenylphenyl)-4-[6-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808582
2-(4-phenylphenyl)-4-[6-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808572
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[6-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808483
2-naphthalen-1-yl-4-[8-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 156558838
2,4-diphenyl-6-[6-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 171414948
2-[3-(7,9-diphenyldibenzofuran-4-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 164838484
2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(8-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167403127
2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine
CID 176818567
2-(10-dibenzofuran-4-ylnaphtho[2,1-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 156558260
2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808678
2-[3-[3-(4-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134430152
2,4-diphenyl-6-[7-(4-phenylphenyl)-9-[4-[4-phenyl-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 170116450

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-1,3,5-triazine (CID 167403219) is 2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3cc4oc5c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc5c4c4ccccc34)c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-1,3,5-triazine?
The InChIKey is ICOJHLNVJYABEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3O/c1-4-14-28(15-5-1)31-20-12-21-32(26-31)37-27-38-39(34-23-11-10-22-33(34)37)35-24-13-25-36(40(35)47-38)43-45-41(29-16-6-2-7-17-29)44-42(46-43)30-18-8-3-9-19-30/h1-27H.
What are the key properties of 2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-1,3,5-triazine?
2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-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-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-1,3,5-triazine is sourced from PubChem (CID 167403219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).