2-(1-benzofuran-2-yl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine

C49H31N3O — CID 146183565

IUPAC2-(1-benzofuran-2-yl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)nc(-c4cc5ccccc5o4)n3)c2)cc1
InChIInChI=1S/C49H31N3O/c1-3-14-32(15-4-1)36-19-13-20-38(30-36)48-50-47(51-49(52-48)44-31-37-18-7-12-25-43(37)53-44)35-28-26-34(27-29-35)46-41-23-10-8-21-39(41)45(33-16-5-2-6-17-33)40-22-9-11-24-42(40)46/h1-31H
InChIKeyNMYSTGAYXFGCET-UHFFFAOYSA-N
MW677.81 g/mol
LogP12.93
Rot. Bonds6

About 2-(1-benzofuran-2-yl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine

2-(1-benzofuran-2-yl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 146183565) has the molecular formula C49H31N3O and a molecular weight of 677.81 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID146183565
Molecular FormulaC49H31N3O
Molecular Weight677.81 g/mol
Exact Mass677.25
IUPAC Name2-(1-benzofuran-2-yl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)nc(-c4cc5ccccc5o4)n3)c2)cc1
InChIInChI=1S/C49H31N3O/c1-3-14-32(15-4-1)36-19-13-20-38(30-36)48-50-47(51-49(52-48)44-31-37-18-7-12-25-43(37)53-44)35-28-26-34(27-29-35)46-41-23-10-8-21-39(41)45(33-16-5-2-6-17-33)40-22-9-11-24-42(40)46/h1-31H
InChIKeyNMYSTGAYXFGCET-UHFFFAOYSA-N
XLogP12.93
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-(1-benzofuran-2-yl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine 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-(1-benzofuran-2-yl)-4-(3-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 146183589
2-(1-benzofuran-2-yl)-4-dibenzofuran-3-yl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 146183628
2-(1-benzofuran-2-yl)-4-naphthalen-2-yl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine
CID 146183362
2-(1-benzofuran-2-yl)-4-dibenzofuran-4-yl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 146183632
[4-[3-[3-[3-[4,6-bis(1-benzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane
CID 176645246
2-(1-benzofuran-2-yl)-4-[4-[11-[4-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 165151283
2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146183187
2-naphthalen-2-yl-4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 153301943
2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90361453
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-dibenzofuran-3-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850143
2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425264

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(1-benzofuran-2-yl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine (CID 146183565) is 2-(1-benzofuran-2-yl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)nc(-c4cc5ccccc5o4)n3)c2)cc1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is NMYSTGAYXFGCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O/c1-3-14-32(15-4-1)36-19-13-20-38(30-36)48-50-47(51-49(52-48)44-31-37-18-7-12-25-43(37)53-44)35-28-26-34(27-29-35)46-41-23-10-8-21-39(41)45(33-16-5-2-6-17-33)40-22-9-11-24-42(40)46/h1-31H.
What are the key properties of 2-(1-benzofuran-2-yl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
2-(1-benzofuran-2-yl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 677.81 g/mol, XLogP of 12.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 146183565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).