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

C50H30N4O2 — CID 167128703

IUPAC2-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
SMILESc1ccc(-c2nc(-c3ccc4ccc(-c5cccc6oc7cc8nc(-c9ccccc9)oc8cc7c56)cc4c3)nc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C50H30N4O2/c1-4-13-32(14-5-1)38-19-10-11-20-40(38)49-53-47(33-15-6-2-7-16-33)52-48(54-49)36-26-24-31-23-25-35(27-37(31)28-36)39-21-12-22-43-46(39)41-29-45-42(30-44(41)55-43)51-50(56-45)34-17-8-3-9-18-34/h1-30H
InChIKeyNWNQENOZTVVDQM-UHFFFAOYSA-N
MW718.82 g/mol
LogP13.07
Rot. Bonds6

About 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

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 (PubChem CID 167128703) has the molecular formula C50H30N4O2 and a molecular weight of 718.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID167128703
Molecular FormulaC50H30N4O2
Molecular Weight718.82 g/mol
Exact Mass718.24
IUPAC Name2-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
SMILESc1ccc(-c2nc(-c3ccc4ccc(-c5cccc6oc7cc8nc(-c9ccccc9)oc8cc7c56)cc4c3)nc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C50H30N4O2/c1-4-13-32(14-5-1)38-19-10-11-20-40(38)49-53-47(33-15-6-2-7-16-33)52-48(54-49)36-26-24-31-23-25-35(27-37(31)28-36)39-21-12-22-43-46(39)41-29-45-42(30-44(41)55-43)51-50(56-45)34-17-8-3-9-18-34/h1-30H
InChIKeyNWNQENOZTVVDQM-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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole
CID 167128188
5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 167129985
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 167129390
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
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
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
5-[4-naphthalen-2-yl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazole
CID 171455805
2-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-(2-naphthalen-2-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 171731179
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-(8-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 174316507
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-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164942447

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccc4ccc(-c5cccc6oc7cc8nc(-c9ccccc9)oc8cc7c56)cc4c3)nc(-c3ccccc3-c3ccccc3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is NWNQENOZTVVDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O2/c1-4-13-32(14-5-1)38-19-10-11-20-40(38)49-53-47(33-15-6-2-7-16-33)52-48(54-49)36-26-24-31-23-25-35(27-37(31)28-36)39-21-12-22-43-46(39)41-29-45-42(30-44(41)55-43)51-50(56-45)34-17-8-3-9-18-34/h1-30H.
What are the key properties of 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?
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 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-[7-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole is sourced from PubChem (CID 167128703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).