6-(3-dibenzofuran-4-ylphenyl)-2,4-bis(4-phenylphenyl)-1,3-benzoxazole

C49H31NO2 — CID 137473418

IUPAC6-(3-dibenzofuran-4-ylphenyl)-2,4-bis(4-phenylphenyl)-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3nc4c(-c5ccc(-c6ccccc6)cc5)cc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc4o3)cc2)cc1
InChIInChI=1S/C49H31NO2/c1-3-11-32(12-4-1)34-21-25-36(26-22-34)44-30-40(31-46-47(44)50-49(52-46)37-27-23-35(24-28-37)33-13-5-2-6-14-33)38-15-9-16-39(29-38)41-18-10-19-43-42-17-7-8-20-45(42)51-48(41)43/h1-31H
InChIKeyVQYITVHPWZLNOV-UHFFFAOYSA-N
MW665.79 g/mol
LogP13.73
Rot. Bonds6

About 6-(3-dibenzofuran-4-ylphenyl)-2,4-bis(4-phenylphenyl)-1,3-benzoxazole

6-(3-dibenzofuran-4-ylphenyl)-2,4-bis(4-phenylphenyl)-1,3-benzoxazole (PubChem CID 137473418) has the molecular formula C49H31NO2 and a molecular weight of 665.79 g/mol. Its IUPAC name is 6-(3-dibenzofuran-4-ylphenyl)-2,4-bis(4-phenylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(3-dibenzofuran-4-ylphenyl)-2,4-bis(4-phenylphenyl)-1,3-benzoxazole
PubChem CID137473418
Molecular FormulaC49H31NO2
Molecular Weight665.79 g/mol
Exact Mass665.24
IUPAC Name6-(3-dibenzofuran-4-ylphenyl)-2,4-bis(4-phenylphenyl)-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3nc4c(-c5ccc(-c6ccccc6)cc5)cc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc4o3)cc2)cc1
InChIInChI=1S/C49H31NO2/c1-3-11-32(12-4-1)34-21-25-36(26-22-34)44-30-40(31-46-47(44)50-49(52-46)37-27-23-35(24-28-37)33-13-5-2-6-14-33)38-15-9-16-39(29-38)41-18-10-19-43-42-17-7-8-20-45(42)51-48(41)43/h1-31H
InChIKeyVQYITVHPWZLNOV-UHFFFAOYSA-N
XLogP13.73
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.79
LogP ≤ 513.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(3-dibenzofuran-4-ylphenyl)-2,4-bis(4-phenylphenyl)-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

2-(4-dibenzofuran-4-ylphenyl)-5-(3-phenylphenyl)-1,3,4-oxadiazole
CID 70332203
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
2,4-di(dibenzofuran-4-yl)-6-[4-phenyl-2-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 167348928
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
2,4-di(dibenzofuran-4-yl)-6-[2,4-diphenyl-6-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 167348909
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170186979
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332148
2-dibenzofuran-4-yl-4-[4-(6-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 177269991
3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine
CID 58410142
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
2-[7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009476

Frequently Asked Questions

What is the IUPAC name of 6-(3-dibenzofuran-4-ylphenyl)-2,4-bis(4-phenylphenyl)-1,3-benzoxazole?
The IUPAC name of 6-(3-dibenzofuran-4-ylphenyl)-2,4-bis(4-phenylphenyl)-1,3-benzoxazole (CID 137473418) is 6-(3-dibenzofuran-4-ylphenyl)-2,4-bis(4-phenylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 6-(3-dibenzofuran-4-ylphenyl)-2,4-bis(4-phenylphenyl)-1,3-benzoxazole?
The canonical SMILES for 6-(3-dibenzofuran-4-ylphenyl)-2,4-bis(4-phenylphenyl)-1,3-benzoxazole is c1ccc(-c2ccc(-c3nc4c(-c5ccc(-c6ccccc6)cc5)cc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc4o3)cc2)cc1.
What is the InChIKey of 6-(3-dibenzofuran-4-ylphenyl)-2,4-bis(4-phenylphenyl)-1,3-benzoxazole?
The InChIKey is VQYITVHPWZLNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NO2/c1-3-11-32(12-4-1)34-21-25-36(26-22-34)44-30-40(31-46-47(44)50-49(52-46)37-27-23-35(24-28-37)33-13-5-2-6-14-33)38-15-9-16-39(29-38)41-18-10-19-43-42-17-7-8-20-45(42)51-48(41)43/h1-31H.
What are the key properties of 6-(3-dibenzofuran-4-ylphenyl)-2,4-bis(4-phenylphenyl)-1,3-benzoxazole?
6-(3-dibenzofuran-4-ylphenyl)-2,4-bis(4-phenylphenyl)-1,3-benzoxazole has a molecular weight of 665.79 g/mol, XLogP of 13.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-dibenzofuran-4-ylphenyl)-2,4-bis(4-phenylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 137473418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).