1-[4-[10-(2,5-diphenylphenyl)-2-phenylanthracen-9-yl]naphthalen-1-yl]-2-ethylbenzimidazole

C57H40N2 — CID 166043177

IUPAC1-[4-[10-(2,5-diphenylphenyl)-2-phenylanthracen-9-yl]naphthalen-1-yl]-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c3ccc(-c4ccccc4)cc23)c2ccccc12
InChIInChI=1S/C57H40N2/c1-2-55-58-52-28-16-17-29-54(52)59(55)53-35-34-48(44-24-12-13-25-45(44)53)56-46-26-14-15-27-47(46)57(49-33-31-42(37-51(49)56)39-20-8-4-9-21-39)50-36-41(38-18-6-3-7-19-38)30-32-43(50)40-22-10-5-11-23-40/h3-37H,2H2,1H3
InChIKeyJVOYNIQHJGGCRX-UHFFFAOYSA-N
MW752.96 g/mol
LogP15.38
Rot. Bonds7

About 1-[4-[10-(2,5-diphenylphenyl)-2-phenylanthracen-9-yl]naphthalen-1-yl]-2-ethylbenzimidazole

1-[4-[10-(2,5-diphenylphenyl)-2-phenylanthracen-9-yl]naphthalen-1-yl]-2-ethylbenzimidazole (PubChem CID 166043177) has the molecular formula C57H40N2 and a molecular weight of 752.96 g/mol. Its IUPAC name is 1-[4-[10-(2,5-diphenylphenyl)-2-phenylanthracen-9-yl]naphthalen-1-yl]-2-ethylbenzimidazole.

Molecular Properties

Compound Name1-[4-[10-(2,5-diphenylphenyl)-2-phenylanthracen-9-yl]naphthalen-1-yl]-2-ethylbenzimidazole
PubChem CID166043177
Molecular FormulaC57H40N2
Molecular Weight752.96 g/mol
Exact Mass752.32
IUPAC Name1-[4-[10-(2,5-diphenylphenyl)-2-phenylanthracen-9-yl]naphthalen-1-yl]-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c3ccc(-c4ccccc4)cc23)c2ccccc12
InChIInChI=1S/C57H40N2/c1-2-55-58-52-28-16-17-29-54(52)59(55)53-35-34-48(44-24-12-13-25-45(44)53)56-46-26-14-15-27-47(46)57(49-33-31-42(37-51(49)56)39-20-8-4-9-21-39)50-36-41(38-18-6-3-7-19-38)30-32-43(50)40-22-10-5-11-23-40/h3-37H,2H2,1H3
InChIKeyJVOYNIQHJGGCRX-UHFFFAOYSA-N
XLogP15.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.96
LogP ≤ 515.38
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-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
2-ethyl-1-[4-(2-phenyl-10-pyren-2-ylanthracen-9-yl)naphthalen-1-yl]benzimidazole
CID 166043026
1-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)naphthalen-1-yl]-2-ethylbenzimidazole
CID 170236605
2-ethyl-1-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]benzimidazole
CID 169070045
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-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphthalen-1-yl]benzimidazole
CID 169070132
2-ethyl-1-[4-[10-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045
1-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]-2-ethylbenzimidazole
CID 139394595
1-[4-[3,10-bis(4-phenylphenyl)anthracen-9-yl]phenyl]-2-ethylbenzimidazole;2-ethyl-1-[4-(10-naphthalen-1-yl-3-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole;2-ethyl-1-[4-[3-(2-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-ethyl-1-[4-[3-(3-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 167535306
2-ethyl-1-[2-[3-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracen-9-yl]phenyl]benzimidazole
CID 169071719

Frequently Asked Questions

What is the IUPAC name of 1-[4-[10-(2,5-diphenylphenyl)-2-phenylanthracen-9-yl]naphthalen-1-yl]-2-ethylbenzimidazole?
The IUPAC name of 1-[4-[10-(2,5-diphenylphenyl)-2-phenylanthracen-9-yl]naphthalen-1-yl]-2-ethylbenzimidazole (CID 166043177) is 1-[4-[10-(2,5-diphenylphenyl)-2-phenylanthracen-9-yl]naphthalen-1-yl]-2-ethylbenzimidazole.
What is the SMILES notation for 1-[4-[10-(2,5-diphenylphenyl)-2-phenylanthracen-9-yl]naphthalen-1-yl]-2-ethylbenzimidazole?
The canonical SMILES for 1-[4-[10-(2,5-diphenylphenyl)-2-phenylanthracen-9-yl]naphthalen-1-yl]-2-ethylbenzimidazole is CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c3ccc(-c4ccccc4)cc23)c2ccccc12.
What is the InChIKey of 1-[4-[10-(2,5-diphenylphenyl)-2-phenylanthracen-9-yl]naphthalen-1-yl]-2-ethylbenzimidazole?
The InChIKey is JVOYNIQHJGGCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2/c1-2-55-58-52-28-16-17-29-54(52)59(55)53-35-34-48(44-24-12-13-25-45(44)53)56-46-26-14-15-27-47(46)57(49-33-31-42(37-51(49)56)39-20-8-4-9-21-39)50-36-41(38-18-6-3-7-19-38)30-32-43(50)40-22-10-5-11-23-40/h3-37H,2H2,1H3.
What are the key properties of 1-[4-[10-(2,5-diphenylphenyl)-2-phenylanthracen-9-yl]naphthalen-1-yl]-2-ethylbenzimidazole?
1-[4-[10-(2,5-diphenylphenyl)-2-phenylanthracen-9-yl]naphthalen-1-yl]-2-ethylbenzimidazole has a molecular weight of 752.96 g/mol, XLogP of 15.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[10-(2,5-diphenylphenyl)-2-phenylanthracen-9-yl]naphthalen-1-yl]-2-ethylbenzimidazole is sourced from PubChem (CID 166043177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).