2-phenyl-8-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole

C44H26N4O2 — CID 167128398

IUPAC2-phenyl-8-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole
SMILESc1ccc(-c2ccc3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5cc7nc(-c8ccccc8)oc7cc56)n4)cc3c2)cc1
InChIInChI=1S/C44H26N4O2/c1-4-11-27(12-5-1)31-21-19-28-20-22-32(24-33(28)23-31)42-46-41(29-13-6-2-7-14-29)47-43(48-42)35-18-10-17-34-36-25-39-37(26-38(36)49-40(34)35)45-44(50-39)30-15-8-3-9-16-30/h1-26H
InChIKeyJNJVOIVVGCPWIP-UHFFFAOYSA-N
MW642.72 g/mol
LogP11.40
Rot. Bonds5

About 2-phenyl-8-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole

2-phenyl-8-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole (PubChem CID 167128398) has the molecular formula C44H26N4O2 and a molecular weight of 642.72 g/mol. Its IUPAC name is 2-phenyl-8-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole.

Molecular Properties

Compound Name2-phenyl-8-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole
PubChem CID167128398
Molecular FormulaC44H26N4O2
Molecular Weight642.72 g/mol
Exact Mass642.21
IUPAC Name2-phenyl-8-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole
SMILESc1ccc(-c2ccc3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5cc7nc(-c8ccccc8)oc7cc56)n4)cc3c2)cc1
InChIInChI=1S/C44H26N4O2/c1-4-11-27(12-5-1)31-21-19-28-20-22-32(24-33(28)23-31)42-46-41(29-13-6-2-7-14-29)47-43(48-42)35-18-10-17-34-36-25-39-37(26-38(36)49-40(34)35)45-44(50-39)30-15-8-3-9-16-30/h1-26H
InChIKeyJNJVOIVVGCPWIP-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

6-[6-[4-dibenzofuran-4-yl-6-[6-(2-phenyl-1,3-benzoxazol-6-yl)naphthalen-2-yl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole;5-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole;6-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 159598829
2-phenyl-5-[7-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 167128703
8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole
CID 167127603
2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176765189
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-8-yl)phenyl]aniline
CID 167127280
6-[6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 167129061
2-phenyl-4-(7-phenyldibenzofuran-3-yl)-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 155477108
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 167127620
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 164723679
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 137496589

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-8-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole?
The IUPAC name of 2-phenyl-8-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole (CID 167128398) is 2-phenyl-8-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole.
What is the SMILES notation for 2-phenyl-8-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole?
The canonical SMILES for 2-phenyl-8-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole is c1ccc(-c2ccc3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5cc7nc(-c8ccccc8)oc7cc56)n4)cc3c2)cc1.
What is the InChIKey of 2-phenyl-8-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole?
The InChIKey is JNJVOIVVGCPWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O2/c1-4-11-27(12-5-1)31-21-19-28-20-22-32(24-33(28)23-31)42-46-41(29-13-6-2-7-14-29)47-43(48-42)35-18-10-17-34-36-25-39-37(26-38(36)49-40(34)35)45-44(50-39)30-15-8-3-9-16-30/h1-26H.
What are the key properties of 2-phenyl-8-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole?
2-phenyl-8-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[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 2-phenyl-8-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole is sourced from PubChem (CID 167128398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).