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

C50H30N4O2 — CID 167124484

IUPAC2-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
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cc7nc(-c8ccccc8)oc7c7c6oc6ccccc67)c5)n4)ccc3c2)cc1
InChIInChI=1S/C50H30N4O2/c1-4-13-31(14-5-1)34-23-24-36-28-39(26-25-35(36)27-34)49-53-47(32-15-6-2-7-16-32)52-48(54-49)38-20-12-19-37(29-38)41-30-42-46(56-50(51-42)33-17-8-3-9-18-33)44-40-21-10-11-22-43(40)55-45(41)44/h1-30H
InChIKeyLCQVOJGPKKARFJ-UHFFFAOYSA-N
MW718.82 g/mol
LogP13.07
Rot. Bonds6

About 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

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 (PubChem CID 167124484) has the molecular formula C50H30N4O2 and a molecular weight of 718.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID167124484
Molecular FormulaC50H30N4O2
Molecular Weight718.82 g/mol
Exact Mass718.24
IUPAC Name2-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
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cc7nc(-c8ccccc8)oc7c7c6oc6ccccc67)c5)n4)ccc3c2)cc1
InChIInChI=1S/C50H30N4O2/c1-4-13-31(14-5-1)34-23-24-36-28-39(26-25-35(36)27-34)49-53-47(32-15-6-2-7-16-32)52-48(54-49)38-20-12-19-37(29-38)41-30-42-46(56-50(51-42)33-17-8-3-9-18-33)44-40-21-10-11-22-43(40)55-45(41)44/h1-30H
InChIKeyLCQVOJGPKKARFJ-UHFFFAOYSA-N
XLogP13.07
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.82
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167125281
5-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
CID 176647012
2,4-dinaphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163773356
2-dibenzothiophen-1-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167124017
2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170016833
9-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764260
2-[4-[4-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3-benzoxazole
CID 170681623
9-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764267
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171607713
2-dibenzofuran-1-yl-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 162504507
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167123039

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cc7nc(-c8ccccc8)oc7c7c6oc6ccccc67)c5)n4)ccc3c2)cc1.
What is the InChIKey of 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?
The InChIKey is LCQVOJGPKKARFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O2/c1-4-13-31(14-5-1)34-23-24-36-28-39(26-25-35(36)27-34)49-53-47(32-15-6-2-7-16-32)52-48(54-49)38-20-12-19-37(29-38)41-30-42-46(56-50(51-42)33-17-8-3-9-18-33)44-40-21-10-11-22-43(40)55-45(41)44/h1-30H.
What are the key properties of 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?
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 has a molecular weight of 718.82 g/mol, XLogP of 13.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167124484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).