1-[4-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]phenyl]-2-ethylbenzimidazole

C47H32N2S — CID 170236754

IUPAC1-[4-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]phenyl]-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5sc6ccccc6c5c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C47H32N2S/c1-2-45-48-41-16-8-9-17-42(41)49(45)34-26-23-31(24-27-34)30-19-21-32(22-20-30)46-36-12-3-5-14-38(36)47(39-15-6-4-13-37(39)46)33-25-28-44-40(29-33)35-11-7-10-18-43(35)50-44/h3-29H,2H2,1H3
InChIKeyOCBJGQNOFPSPBP-UHFFFAOYSA-N
MW656.85 g/mol
LogP13.26
Rot. Bonds5

About 1-[4-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]phenyl]-2-ethylbenzimidazole

1-[4-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]phenyl]-2-ethylbenzimidazole (PubChem CID 170236754) has the molecular formula C47H32N2S and a molecular weight of 656.85 g/mol. Its IUPAC name is 1-[4-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]phenyl]-2-ethylbenzimidazole.

Molecular Properties

Compound Name1-[4-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]phenyl]-2-ethylbenzimidazole
PubChem CID170236754
Molecular FormulaC47H32N2S
Molecular Weight656.85 g/mol
Exact Mass656.23
IUPAC Name1-[4-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]phenyl]-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5sc6ccccc6c5c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C47H32N2S/c1-2-45-48-41-16-8-9-17-42(41)49(45)34-26-23-31(24-27-34)30-19-21-32(22-20-30)46-36-12-3-5-14-38(36)47(39-15-6-4-13-37(39)46)33-25-28-44-40(29-33)35-11-7-10-18-43(35)50-44/h3-29H,2H2,1H3
InChIKeyOCBJGQNOFPSPBP-UHFFFAOYSA-N
XLogP13.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.85
LogP ≤ 513.26
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-[4-(10-dibenzothiophen-2-yl-3-phenylanthracen-9-yl)phenyl]phenyl]-2-(1,1,2,2,2-pentadeuterioethyl)benzimidazole
CID 169071770
2-ethyl-1-[4-(3-phenyl-10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 166042892
1-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole
CID 169071972
2-ethyl-1-[4-(10-naphtho[1,2-b][1]benzothiol-9-ylanthracen-9-yl)phenyl]benzimidazole
CID 118503748
2-ethyl-1-[4-[10-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045
1-[4-[4-[10-dibenzothiophen-1-yl-3-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]phenyl]-2-ethylbenzimidazole
CID 169070702
2-ethyl-1-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 170236015
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 160637749
CID 174118971
CID 174118971
1-(10-dibenzothiophen-2-ylanthracen-9-yl)-2-methylbenzimidazole
CID 170236799
2-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-5-phenylphenanthridin-6-one
CID 134576259
2-ethyl-1-[4-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]phenyl]benzimidazole
CID 170236117

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]phenyl]-2-ethylbenzimidazole?
The IUPAC name of 1-[4-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]phenyl]-2-ethylbenzimidazole (CID 170236754) is 1-[4-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]phenyl]-2-ethylbenzimidazole.
What is the SMILES notation for 1-[4-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]phenyl]-2-ethylbenzimidazole?
The canonical SMILES for 1-[4-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]phenyl]-2-ethylbenzimidazole is CCc1nc2ccccc2n1-c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5sc6ccccc6c5c4)c4ccccc34)cc2)cc1.
What is the InChIKey of 1-[4-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]phenyl]-2-ethylbenzimidazole?
The InChIKey is OCBJGQNOFPSPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2S/c1-2-45-48-41-16-8-9-17-42(41)49(45)34-26-23-31(24-27-34)30-19-21-32(22-20-30)46-36-12-3-5-14-38(36)47(39-15-6-4-13-37(39)46)33-25-28-44-40(29-33)35-11-7-10-18-43(35)50-44/h3-29H,2H2,1H3.
What are the key properties of 1-[4-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]phenyl]-2-ethylbenzimidazole?
1-[4-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]phenyl]-2-ethylbenzimidazole has a molecular weight of 656.85 g/mol, XLogP of 13.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]phenyl]-2-ethylbenzimidazole is sourced from PubChem (CID 170236754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).