1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole

C34H24N2 — CID 169071527

IUPAC1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole
SMILES[2H]C([2H])([2H])c1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C34H24N2/c1-23-35-31-17-9-10-18-32(31)36(23)26-21-19-25(20-22-26)34-29-15-7-5-13-27(29)33(24-11-3-2-4-12-24)28-14-6-8-16-30(28)34/h2-22H,1H3/i1D3
InChIKeyQYFHSIIQHBJOIY-FIBGUPNXSA-N
MW463.60 g/mol
LogP8.97
Rot. Bonds4

About 1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole

1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole (PubChem CID 169071527) has the molecular formula C34H24N2 and a molecular weight of 463.60 g/mol. Its IUPAC name is 1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole.

Molecular Properties

Compound Name1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole
PubChem CID169071527
Molecular FormulaC34H24N2
Molecular Weight463.60 g/mol
Exact Mass463.21
IUPAC Name1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole
SMILES[2H]C([2H])([2H])c1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C34H24N2/c1-23-35-31-17-9-10-18-32(31)36(23)26-21-19-25(20-22-26)34-29-15-7-5-13-27(29)33(24-11-3-2-4-12-24)28-14-6-8-16-30(28)34/h2-22H,1H3/i1D3
InChIKeyQYFHSIIQHBJOIY-FIBGUPNXSA-N
XLogP8.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.60
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320
1-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 58898414
1-[4-[10-(3-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole
CID 169071585
1-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole
CID 169071972
1-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole
CID 169070288
2-methyl-1-[4-[10-[3-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 59408445
2-methyl-1-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 169070279
1-[10-(3-phenylphenyl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole
CID 169070200
2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 139519819
1-[4-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 139519792
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-[3-[10-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylanthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole
CID 169071312

Frequently Asked Questions

What is the IUPAC name of 1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole?
The IUPAC name of 1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole (CID 169071527) is 1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole.
What is the SMILES notation for 1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole?
The canonical SMILES for 1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole is [2H]C([2H])([2H])c1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole?
The InChIKey is QYFHSIIQHBJOIY-FIBGUPNXSA-N. The full InChI is InChI=1S/C34H24N2/c1-23-35-31-17-9-10-18-32(31)36(23)26-21-19-25(20-22-26)34-29-15-7-5-13-27(29)33(24-11-3-2-4-12-24)28-14-6-8-16-30(28)34/h2-22H,1H3/i1D3.
What are the key properties of 1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole?
1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole has a molecular weight of 463.60 g/mol, XLogP of 8.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole is sourced from PubChem (CID 169071527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).