1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-methylbenzimidazole

C34H22N2O — CID 170236795

IUPAC1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1c2ccccc2c(-c2ccc3oc4ccccc4c3c2)c2ccccc12
InChIInChI=1S/C34H22N2O/c1-21-35-29-15-7-8-16-30(29)36(21)34-26-13-4-2-11-24(26)33(25-12-3-5-14-27(25)34)22-18-19-32-28(20-22)23-10-6-9-17-31(23)37-32/h2-20H,1H3
InChIKeyXWPVMESHPCGDQU-UHFFFAOYSA-N
MW474.56 g/mol
LogP9.21
Rot. Bonds2

About 1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-methylbenzimidazole

1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-methylbenzimidazole (PubChem CID 170236795) has the molecular formula C34H22N2O and a molecular weight of 474.56 g/mol. Its IUPAC name is 1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-methylbenzimidazole
PubChem CID170236795
Molecular FormulaC34H22N2O
Molecular Weight474.56 g/mol
Exact Mass474.17
IUPAC Name1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1c2ccccc2c(-c2ccc3oc4ccccc4c3c2)c2ccccc12
InChIInChI=1S/C34H22N2O/c1-21-35-29-15-7-8-16-30(29)36(21)34-26-13-4-2-11-24(26)33(25-12-3-5-14-27(25)34)22-18-19-32-28(20-22)23-10-6-9-17-31(23)37-32/h2-20H,1H3
InChIKeyXWPVMESHPCGDQU-UHFFFAOYSA-N
XLogP9.21
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(10-dibenzothiophen-2-ylanthracen-9-yl)-2-methylbenzimidazole
CID 170236799
2-methyl-1-[4-(10-naphtho[2,3-b][1]benzofuran-3-ylanthracen-9-yl)phenyl]benzimidazole
CID 134487962
CID 174120716
CID 174120716
2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 139519819
2-methyl-1-(8-methyldibenzofuran-2-yl)benzimidazole
CID 122468290
2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156656991
1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2-methylbenzimidazole
CID 170236349
1-[3-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole
CID 169071529
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118149535
CID 174120240
CID 174120240
9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole
CID 126632043
7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 126632681

Frequently Asked Questions

What is the IUPAC name of 1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-methylbenzimidazole?
The IUPAC name of 1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-methylbenzimidazole (CID 170236795) is 1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-methylbenzimidazole.
What is the SMILES notation for 1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-methylbenzimidazole?
The canonical SMILES for 1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-methylbenzimidazole is Cc1nc2ccccc2n1-c1c2ccccc2c(-c2ccc3oc4ccccc4c3c2)c2ccccc12.
What is the InChIKey of 1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-methylbenzimidazole?
The InChIKey is XWPVMESHPCGDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N2O/c1-21-35-29-15-7-8-16-30(29)36(21)34-26-13-4-2-11-24(26)33(25-12-3-5-14-27(25)34)22-18-19-32-28(20-22)23-10-6-9-17-31(23)37-32/h2-20H,1H3.
What are the key properties of 1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-methylbenzimidazole?
1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-methylbenzimidazole has a molecular weight of 474.56 g/mol, XLogP of 9.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-methylbenzimidazole is sourced from PubChem (CID 170236795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).