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

C34H22N2S — CID 170236799

IUPAC1-(10-dibenzothiophen-2-ylanthracen-9-yl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1c2ccccc2c(-c2ccc3sc4ccccc4c3c2)c2ccccc12
InChIInChI=1S/C34H22N2S/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
InChIKeyFCDHVZBXALEJQR-UHFFFAOYSA-N
MW490.63 g/mol
LogP9.68
Rot. Bonds2

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

1-(10-dibenzothiophen-2-ylanthracen-9-yl)-2-methylbenzimidazole (PubChem CID 170236799) has the molecular formula C34H22N2S and a molecular weight of 490.63 g/mol. Its IUPAC name is 1-(10-dibenzothiophen-2-ylanthracen-9-yl)-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(10-dibenzothiophen-2-ylanthracen-9-yl)-2-methylbenzimidazole
PubChem CID170236799
Molecular FormulaC34H22N2S
Molecular Weight490.63 g/mol
Exact Mass490.15
IUPAC Name1-(10-dibenzothiophen-2-ylanthracen-9-yl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1c2ccccc2c(-c2ccc3sc4ccccc4c3c2)c2ccccc12
InChIInChI=1S/C34H22N2S/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
InChIKeyFCDHVZBXALEJQR-UHFFFAOYSA-N
XLogP9.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 59.68
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-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole
CID 169071972
1-[4-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]phenyl]-2-ethylbenzimidazole
CID 170236754
1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-methylbenzimidazole
CID 170236795
1-(10-dibenzothiophen-2-yl-3-phenylanthracen-9-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole
CID 169071618
1-[2-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 170236710
2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 139519819
1-[3-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)phenyl]-2-methylbenzimidazole
CID 170236586
1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-6-[3-[1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]benzimidazol-2-yl]phenyl]-2-methylbenzimidazole
CID 139519800
1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2-methylbenzimidazole
CID 170236349
1-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)naphthalen-1-yl]-2-(1,1,2,2,2-pentadeuterioethyl)benzimidazole
CID 169070355
dibenzothiophene;ethane;tris(2-methyl-1-phenylbenzimidazole);phenanthrene
CID 157228707
1-[10-(3-phenylphenyl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole
CID 169070200

Frequently Asked Questions

What is the IUPAC name of 1-(10-dibenzothiophen-2-ylanthracen-9-yl)-2-methylbenzimidazole?
The IUPAC name of 1-(10-dibenzothiophen-2-ylanthracen-9-yl)-2-methylbenzimidazole (CID 170236799) is 1-(10-dibenzothiophen-2-ylanthracen-9-yl)-2-methylbenzimidazole.
What is the SMILES notation for 1-(10-dibenzothiophen-2-ylanthracen-9-yl)-2-methylbenzimidazole?
The canonical SMILES for 1-(10-dibenzothiophen-2-ylanthracen-9-yl)-2-methylbenzimidazole is Cc1nc2ccccc2n1-c1c2ccccc2c(-c2ccc3sc4ccccc4c3c2)c2ccccc12.
What is the InChIKey of 1-(10-dibenzothiophen-2-ylanthracen-9-yl)-2-methylbenzimidazole?
The InChIKey is FCDHVZBXALEJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N2S/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-dibenzothiophen-2-ylanthracen-9-yl)-2-methylbenzimidazole?
1-(10-dibenzothiophen-2-ylanthracen-9-yl)-2-methylbenzimidazole has a molecular weight of 490.63 g/mol, XLogP of 9.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-dibenzothiophen-2-ylanthracen-9-yl)-2-methylbenzimidazole is sourced from PubChem (CID 170236799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).