1-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)naphthalen-1-yl]-2-ethylbenzimidazole

C51H34N2O — CID 170236605

IUPAC1-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)naphthalen-1-yl]-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3cccc4oc5ccccc5c34)c3cc(-c4ccccc4)ccc23)c2ccccc12
InChIInChI=1S/C51H34N2O/c1-2-48-52-43-23-11-12-24-45(43)53(48)44-30-29-38(34-17-6-7-18-35(34)44)49-36-19-8-9-20-37(36)50(42-31-33(27-28-39(42)49)32-15-4-3-5-16-32)41-22-14-26-47-51(41)40-21-10-13-25-46(40)54-47/h3-31H,2H2,1H3
InChIKeyYYMMHZLDWXVDDE-UHFFFAOYSA-N
MW690.85 g/mol
LogP13.95
Rot. Bonds5

About 1-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)naphthalen-1-yl]-2-ethylbenzimidazole

1-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)naphthalen-1-yl]-2-ethylbenzimidazole (PubChem CID 170236605) has the molecular formula C51H34N2O and a molecular weight of 690.85 g/mol. Its IUPAC name is 1-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)naphthalen-1-yl]-2-ethylbenzimidazole.

Molecular Properties

Compound Name1-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)naphthalen-1-yl]-2-ethylbenzimidazole
PubChem CID170236605
Molecular FormulaC51H34N2O
Molecular Weight690.85 g/mol
Exact Mass690.27
IUPAC Name1-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)naphthalen-1-yl]-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3cccc4oc5ccccc5c34)c3cc(-c4ccccc4)ccc23)c2ccccc12
InChIInChI=1S/C51H34N2O/c1-2-48-52-43-23-11-12-24-45(43)53(48)44-30-29-38(34-17-6-7-18-35(34)44)49-36-19-8-9-20-37(36)50(42-31-33(27-28-39(42)49)32-15-4-3-5-16-32)41-22-14-26-47-51(41)40-21-10-13-25-46(40)54-47/h3-31H,2H2,1H3
InChIKeyYYMMHZLDWXVDDE-UHFFFAOYSA-N
XLogP13.95
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 513.95
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-dibenzofuran-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole
CID 170236505
1-[4-[10-(2,5-diphenylphenyl)-2-phenylanthracen-9-yl]naphthalen-1-yl]-2-ethylbenzimidazole
CID 166043177
2-ethyl-1-[4-(2-phenyl-10-pyren-2-ylanthracen-9-yl)naphthalen-1-yl]benzimidazole
CID 166043026
2-ethyl-1-[4-(10-phenanthren-9-yl-3-phenylanthracen-9-yl)naphthalen-1-yl]benzimidazole
CID 166043037
2-ethyl-1-[4-(10-phenanthren-2-yl-3-phenylanthracen-9-yl)naphthalen-1-yl]benzimidazole
CID 166043088
CID 174120001
CID 174120001
2-ethyl-1-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]benzimidazole
CID 166043047
2-ethyl-1-[4-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]phenyl]benzimidazole
CID 166043163
2-ethyl-1-[4-(10-phenanthren-4-yl-2-phenylanthracen-9-yl)phenyl]benzimidazole
CID 166042890
1-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole
CID 170236506
CID 174120702
CID 174120702
1-[2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)phenyl]-2-(1,1,2,2,2-pentadeuterioethyl)benzimidazole
CID 169072063

Frequently Asked Questions

What is the IUPAC name of 1-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)naphthalen-1-yl]-2-ethylbenzimidazole?
The IUPAC name of 1-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)naphthalen-1-yl]-2-ethylbenzimidazole (CID 170236605) is 1-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)naphthalen-1-yl]-2-ethylbenzimidazole.
What is the SMILES notation for 1-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)naphthalen-1-yl]-2-ethylbenzimidazole?
The canonical SMILES for 1-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)naphthalen-1-yl]-2-ethylbenzimidazole is CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3cccc4oc5ccccc5c34)c3cc(-c4ccccc4)ccc23)c2ccccc12.
What is the InChIKey of 1-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)naphthalen-1-yl]-2-ethylbenzimidazole?
The InChIKey is YYMMHZLDWXVDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2O/c1-2-48-52-43-23-11-12-24-45(43)53(48)44-30-29-38(34-17-6-7-18-35(34)44)49-36-19-8-9-20-37(36)50(42-31-33(27-28-39(42)49)32-15-4-3-5-16-32)41-22-14-26-47-51(41)40-21-10-13-25-46(40)54-47/h3-31H,2H2,1H3.
What are the key properties of 1-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)naphthalen-1-yl]-2-ethylbenzimidazole?
1-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)naphthalen-1-yl]-2-ethylbenzimidazole has a molecular weight of 690.85 g/mol, XLogP of 13.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)naphthalen-1-yl]-2-ethylbenzimidazole is sourced from PubChem (CID 170236605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).