1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-2-propan-2-ylbenzimidazole

C42H32N2 — CID 87412317

IUPAC1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-2-propan-2-ylbenzimidazole
SMILESCC(C)c1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C42H32N2/c1-28(2)42-43-38-22-12-13-23-39(38)44(42)31-26-24-30(25-27-31)40-34-18-8-10-20-36(34)41(37-21-11-9-19-35(37)40)33-17-7-6-16-32(33)29-14-4-3-5-15-29/h3-28H,1-2H3
InChIKeyAVARJXFRXPJNJJ-UHFFFAOYSA-N
MW564.73 g/mol
LogP11.46
Rot. Bonds5

About 1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-2-propan-2-ylbenzimidazole

1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-2-propan-2-ylbenzimidazole (PubChem CID 87412317) has the molecular formula C42H32N2 and a molecular weight of 564.73 g/mol. Its IUPAC name is 1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-2-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-2-propan-2-ylbenzimidazole
PubChem CID87412317
Molecular FormulaC42H32N2
Molecular Weight564.73 g/mol
Exact Mass564.26
IUPAC Name1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-2-propan-2-ylbenzimidazole
SMILESCC(C)c1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C42H32N2/c1-28(2)42-43-38-22-12-13-23-39(38)44(42)31-26-24-30(25-27-31)40-34-18-8-10-20-36(34)41(37-21-11-9-19-35(37)40)33-17-7-6-16-32(33)29-14-4-3-5-15-29/h3-28H,1-2H3
InChIKeyAVARJXFRXPJNJJ-UHFFFAOYSA-N
XLogP11.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-2-propan-2-ylbenzimidazole 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-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 87412319
1-[4-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 139519792
1-phenyl-2-propan-2-ylbenzimidazole
CID 21050246
2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320
1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole
CID 169071527
1-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 58898414
1-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953833
1-[4-(7,12-diphenylbenzo[a]anthracen-4-yl)phenyl]-2-phenylbenzimidazole
CID 88544845
3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 157065974
2,4,5-triphenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]imidazole
CID 89292400
2-methyl-1-[4-[10-[3-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 59408445
1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole
CID 20771522

Frequently Asked Questions

What is the IUPAC name of 1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-2-propan-2-ylbenzimidazole?
The IUPAC name of 1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-2-propan-2-ylbenzimidazole (CID 87412317) is 1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-2-propan-2-ylbenzimidazole.
What is the SMILES notation for 1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-2-propan-2-ylbenzimidazole?
The canonical SMILES for 1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-2-propan-2-ylbenzimidazole is CC(C)c1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-2-propan-2-ylbenzimidazole?
The InChIKey is AVARJXFRXPJNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2/c1-28(2)42-43-38-22-12-13-23-39(38)44(42)31-26-24-30(25-27-31)40-34-18-8-10-20-36(34)41(37-21-11-9-19-35(37)40)33-17-7-6-16-32(33)29-14-4-3-5-15-29/h3-28H,1-2H3.
What are the key properties of 1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-2-propan-2-ylbenzimidazole?
1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-2-propan-2-ylbenzimidazole has a molecular weight of 564.73 g/mol, XLogP of 11.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-2-propan-2-ylbenzimidazole is sourced from PubChem (CID 87412317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).