4-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole

C44H26N4O2 — CID 167128102

IUPAC4-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole
SMILESc1ccc(-c2nc3cc4oc5ccccc5c4c(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccccc5-c5ccccc5)n4)c3o2)cc1
InChIInChI=1S/C44H26N4O2/c1-3-14-28(15-4-1)32-19-9-10-20-33(32)42-46-41(31-24-23-27-13-7-8-18-30(27)25-31)47-43(48-42)39-38-34-21-11-12-22-36(34)49-37(38)26-35-40(39)50-44(45-35)29-16-5-2-6-17-29/h1-26H
InChIKeySVHGWIKAGWNIET-UHFFFAOYSA-N
MW642.72 g/mol
LogP11.40
Rot. Bonds5

About 4-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole

4-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole (PubChem CID 167128102) has the molecular formula C44H26N4O2 and a molecular weight of 642.72 g/mol. Its IUPAC name is 4-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole.

Molecular Properties

Compound Name4-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole
PubChem CID167128102
Molecular FormulaC44H26N4O2
Molecular Weight642.72 g/mol
Exact Mass642.21
IUPAC Name4-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole
SMILESc1ccc(-c2nc3cc4oc5ccccc5c4c(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccccc5-c5ccccc5)n4)c3o2)cc1
InChIInChI=1S/C44H26N4O2/c1-3-14-28(15-4-1)32-19-9-10-20-33(32)42-46-41(31-24-23-27-13-7-8-18-30(27)25-31)47-43(48-42)39-38-34-21-11-12-22-36(34)49-37(38)26-35-40(39)50-44(45-35)29-16-5-2-6-17-29/h1-26H
InChIKeySVHGWIKAGWNIET-UHFFFAOYSA-N
XLogP11.40
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.72
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-naphthalen-2-yl-4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 170776708
4-[4-[4-[3-[3-[7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]phenyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 167129063
9-[4-(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764282
2-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-(2-naphthalen-2-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 171731179
2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741483
2-naphthalen-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742408
2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 177112498
9-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764267
9-[4-[4-naphthalen-2-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764425
6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-1,3-benzoxazole
CID 170449661
2-naphthalen-2-yl-4-[5-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 163928791
2-phenyl-5-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167124484

Frequently Asked Questions

What is the IUPAC name of 4-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole?
The IUPAC name of 4-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole (CID 167128102) is 4-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole.
What is the SMILES notation for 4-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole?
The canonical SMILES for 4-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole is c1ccc(-c2nc3cc4oc5ccccc5c4c(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccccc5-c5ccccc5)n4)c3o2)cc1.
What is the InChIKey of 4-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole?
The InChIKey is SVHGWIKAGWNIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O2/c1-3-14-28(15-4-1)32-19-9-10-20-33(32)42-46-41(31-24-23-27-13-7-8-18-30(27)25-31)47-43(48-42)39-38-34-21-11-12-22-36(34)49-37(38)26-35-40(39)50-44(45-35)29-16-5-2-6-17-29/h1-26H.
What are the key properties of 4-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole?
4-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole has a molecular weight of 642.72 g/mol, XLogP of 11.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole is sourced from PubChem (CID 167128102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).