2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzoxazole

C46H28N4O2 — CID 147547147

IUPAC2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5oc6c(-c7nc8ccccc8o7)cccc6c45)n3)cc2)cc1
InChIInChI=1S/C46H28N4O2/c1-3-11-29(12-4-1)31-21-25-33(26-22-31)43-48-44(34-27-23-32(24-28-34)30-13-5-2-6-14-30)50-45(49-43)36-16-10-20-40-41(36)35-15-9-17-37(42(35)51-40)46-47-38-18-7-8-19-39(38)52-46/h1-28H
InChIKeyFQBCFFRQAUFBFY-UHFFFAOYSA-N
MW668.76 g/mol
LogP11.91
Rot. Bonds6

About 2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzoxazole

2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzoxazole (PubChem CID 147547147) has the molecular formula C46H28N4O2 and a molecular weight of 668.76 g/mol. Its IUPAC name is 2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzoxazole
PubChem CID147547147
Molecular FormulaC46H28N4O2
Molecular Weight668.76 g/mol
Exact Mass668.22
IUPAC Name2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5oc6c(-c7nc8ccccc8o7)cccc6c45)n3)cc2)cc1
InChIInChI=1S/C46H28N4O2/c1-3-11-29(12-4-1)31-21-25-33(26-22-31)43-48-44(34-27-23-32(24-28-34)30-13-5-2-6-14-30)50-45(49-43)36-16-10-20-40-41(36)35-15-9-17-37(42(35)51-40)46-47-38-18-7-8-19-39(38)52-46/h1-28H
InChIKeyFQBCFFRQAUFBFY-UHFFFAOYSA-N
XLogP11.91
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.76
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-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-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzoxazole
CID 147874262
2-[4-[4-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3-benzoxazole
CID 170681623
2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808319
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742287
2-(4-phenylphenyl)-4-[6-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808582
2-(4-phenylphenyl)-4-[6-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808572
2-[6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzoxazole
CID 146513479
2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole
CID 147257373
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[6-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808483
2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(2-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808494
2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808588
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-1,3-benzoxazole
CID 147569754

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzoxazole?
The IUPAC name of 2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzoxazole (CID 147547147) is 2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzoxazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5oc6c(-c7nc8ccccc8o7)cccc6c45)n3)cc2)cc1.
What is the InChIKey of 2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzoxazole?
The InChIKey is FQBCFFRQAUFBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O2/c1-3-11-29(12-4-1)31-21-25-33(26-22-31)43-48-44(34-27-23-32(24-28-34)30-13-5-2-6-14-30)50-45(49-43)36-16-10-20-40-41(36)35-15-9-17-37(42(35)51-40)46-47-38-18-7-8-19-39(38)52-46/h1-28H.
What are the key properties of 2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzoxazole?
2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzoxazole has a molecular weight of 668.76 g/mol, XLogP of 11.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 147547147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).