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

C43H27N3O — CID 171757250

IUPAC2,4-diphenyl-6-[1-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc4oc5cc6ccccc6cc5c34)cc2)cc1
InChIInChI=1S/C43H27N3O/c1-4-12-28(13-5-1)29-20-22-30(23-21-29)36-25-35(27-39-40(36)37-24-33-18-10-11-19-34(33)26-38(37)47-39)43-45-41(31-14-6-2-7-15-31)44-42(46-43)32-16-8-3-9-17-32/h1-27H
InChIKeyMGNOUTJTFQPCLA-UHFFFAOYSA-N
MW601.71 g/mol
LogP11.26
Rot. Bonds5

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

2,4-diphenyl-6-[1-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine (PubChem CID 171757250) has the molecular formula C43H27N3O and a molecular weight of 601.71 g/mol. Its IUPAC name is 2,4-diphenyl-6-[1-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[1-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine
PubChem CID171757250
Molecular FormulaC43H27N3O
Molecular Weight601.71 g/mol
Exact Mass601.22
IUPAC Name2,4-diphenyl-6-[1-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc4oc5cc6ccccc6cc5c34)cc2)cc1
InChIInChI=1S/C43H27N3O/c1-4-12-28(13-5-1)29-20-22-30(23-21-29)36-25-35(27-39-40(36)37-24-33-18-10-11-19-34(33)26-38(37)47-39)43-45-41(31-14-6-2-7-15-31)44-42(46-43)32-16-8-3-9-17-32/h1-27H
InChIKeyMGNOUTJTFQPCLA-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-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
CID 171754207
2,4-diphenyl-6-[1-(6-phenylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine
CID 171757130
N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline
CID 167144570
2-(3-naphthalen-1-ylphenyl)-4-phenyl-6-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
CID 171757229
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
2-(3-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 164951936
2-dibenzofuran-3-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259532
2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 155380232
2-(4-naphthalen-2-ylphenyl)-4-(1-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 174259770
2-naphtho[2,3-b][1]benzofuran-3-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163563632
2,4-dinaphthalen-1-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165088234
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259678

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[1-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[1-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine (CID 171757250) is 2,4-diphenyl-6-[1-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[1-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[1-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc4oc5cc6ccccc6cc5c34)cc2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[1-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine?
The InChIKey is MGNOUTJTFQPCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3O/c1-4-12-28(13-5-1)29-20-22-30(23-21-29)36-25-35(27-39-40(36)37-24-33-18-10-11-19-34(33)26-38(37)47-39)43-45-41(31-14-6-2-7-15-31)44-42(46-43)32-16-8-3-9-17-32/h1-27H.
What are the key properties of 2,4-diphenyl-6-[1-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine?
2,4-diphenyl-6-[1-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-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-[1-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine is sourced from PubChem (CID 171757250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).