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

C43H27N3O — CID 176853446

IUPAC2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc5cc(-c6ccccc6)ccc5c5oc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C43H27N3O/c1-4-12-28(13-5-1)30-20-22-32(23-21-30)42-44-41(31-16-8-3-9-17-31)45-43(46-42)37-27-34-26-33(29-14-6-2-7-15-29)24-25-35(34)40-39(37)36-18-10-11-19-38(36)47-40/h1-27H
InChIKeyLZSKFIFOIGIOHU-UHFFFAOYSA-N
MW601.71 g/mol
LogP11.26
Rot. Bonds5

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

2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 176853446) 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-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID176853446
Molecular FormulaC43H27N3O
Molecular Weight601.71 g/mol
Exact Mass601.22
IUPAC Name2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc5cc(-c6ccccc6)ccc5c5oc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C43H27N3O/c1-4-12-28(13-5-1)30-20-22-32(23-21-30)42-44-41(31-16-8-3-9-17-31)45-43(46-42)37-27-34-26-33(29-14-6-2-7-15-29)24-25-35(34)40-39(37)36-18-10-11-19-38(36)47-40/h1-27H
InChIKeyLZSKFIFOIGIOHU-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-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853960
2-naphthalen-2-yl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176854017
9-[4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazin-2-yl]carbazole
CID 176854040
2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775616
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176853943
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine
CID 171757123
2,4-di(dibenzothiophen-2-yl)-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176853773
2-naphthalen-2-yl-4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853968
2-naphthalen-2-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine
CID 177130942
2-phenyl-4-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853688
2,4-diphenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine
CID 177130949
2-(4-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853535

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 176853446) is 2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc5cc(-c6ccccc6)ccc5c5oc6ccccc6c45)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is LZSKFIFOIGIOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3O/c1-4-12-28(13-5-1)30-20-22-32(23-21-30)42-44-41(31-16-8-3-9-17-31)45-43(46-42)37-27-34-26-33(29-14-6-2-7-15-29)24-25-35(34)40-39(37)36-18-10-11-19-38(36)47-40/h1-27H.
What are the key properties of 2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-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-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 176853446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).