1-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole

C40H28N2 — CID 169070288

IUPAC1-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole
SMILES[2H]C([2H])([2H])c1nc2ccccc2n1-c1cccc(-c2c3ccccc3c(-c3cccc(-c4ccccc4)c3)c3ccccc23)c1
InChIInChI=1S/C40H28N2/c1-27-41-37-23-9-10-24-38(37)42(27)32-18-12-17-31(26-32)40-35-21-7-5-19-33(35)39(34-20-6-8-22-36(34)40)30-16-11-15-29(25-30)28-13-3-2-4-14-28/h2-26H,1H3/i1D3
InChIKeyGCEFVDADVVZLLM-FIBGUPNXSA-N
MW539.70 g/mol
LogP10.64
Rot. Bonds5

About 1-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole

1-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole (PubChem CID 169070288) has the molecular formula C40H28N2 and a molecular weight of 539.70 g/mol. Its IUPAC name is 1-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole.

Molecular Properties

Compound Name1-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole
PubChem CID169070288
Molecular FormulaC40H28N2
Molecular Weight539.70 g/mol
Exact Mass539.24
IUPAC Name1-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole
SMILES[2H]C([2H])([2H])c1nc2ccccc2n1-c1cccc(-c2c3ccccc3c(-c3cccc(-c4ccccc4)c3)c3ccccc23)c1
InChIInChI=1S/C40H28N2/c1-27-41-37-23-9-10-24-38(37)42(27)32-18-12-17-31(26-32)40-35-21-7-5-19-33(35)39(34-20-6-8-22-36(34)40)30-16-11-15-29(25-30)28-13-3-2-4-14-28/h2-26H,1H3/i1D3
InChIKeyGCEFVDADVVZLLM-FIBGUPNXSA-N
XLogP10.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.70
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole 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

1-[10-(3-phenylphenyl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole
CID 169070200
1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 170235619
1-[3-[10-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylanthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole
CID 169071312
1-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole
CID 169071481
1-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole
CID 169071718
1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole
CID 169071527
2-methyl-1-[4-[10-[3-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 59408445
2-methyl-1-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 169070456
2-methyl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenyl]benzimidazole
CID 169071319
1-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole
CID 169070166
1-[4-[10-(3-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole
CID 169071585
CID 174118953
CID 174118953

Frequently Asked Questions

What is the IUPAC name of 1-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole?
The IUPAC name of 1-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole (CID 169070288) is 1-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole.
What is the SMILES notation for 1-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole?
The canonical SMILES for 1-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole is [2H]C([2H])([2H])c1nc2ccccc2n1-c1cccc(-c2c3ccccc3c(-c3cccc(-c4ccccc4)c3)c3ccccc23)c1.
What is the InChIKey of 1-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole?
The InChIKey is GCEFVDADVVZLLM-FIBGUPNXSA-N. The full InChI is InChI=1S/C40H28N2/c1-27-41-37-23-9-10-24-38(37)42(27)32-18-12-17-31(26-32)40-35-21-7-5-19-33(35)39(34-20-6-8-22-36(34)40)30-16-11-15-29(25-30)28-13-3-2-4-14-28/h2-26H,1H3/i1D3.
What are the key properties of 1-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole?
1-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole has a molecular weight of 539.70 g/mol, XLogP of 10.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole is sourced from PubChem (CID 169070288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).