1-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]-2-ethylbenzimidazole

C53H38N2 — CID 139394595

IUPAC1-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1-c1cccc(-c2c3ccccc3c(-c3cccc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)c3)c3ccccc23)c1
InChIInChI=1S/C53H38N2/c1-2-51-54-49-29-13-14-30-50(49)55(51)42-24-16-23-41(34-42)53-46-27-11-9-25-44(46)52(45-26-10-12-28-47(45)53)40-22-15-21-39(33-40)43-32-31-38(36-17-5-3-6-18-36)35-48(43)37-19-7-4-8-20-37/h3-35H,2H2,1H3
InChIKeyUSBLXDCKOPJSQR-UHFFFAOYSA-N
MW702.90 g/mol
LogP14.23
Rot. Bonds7

About 1-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]-2-ethylbenzimidazole

1-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]-2-ethylbenzimidazole (PubChem CID 139394595) has the molecular formula C53H38N2 and a molecular weight of 702.90 g/mol. Its IUPAC name is 1-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]-2-ethylbenzimidazole.

Molecular Properties

Compound Name1-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]-2-ethylbenzimidazole
PubChem CID139394595
Molecular FormulaC53H38N2
Molecular Weight702.90 g/mol
Exact Mass702.30
IUPAC Name1-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1-c1cccc(-c2c3ccccc3c(-c3cccc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)c3)c3ccccc23)c1
InChIInChI=1S/C53H38N2/c1-2-51-54-49-29-13-14-30-50(49)55(51)42-24-16-23-41(34-42)53-46-27-11-9-25-44(46)52(45-26-10-12-28-47(45)53)40-22-15-21-39(33-40)43-32-31-38(36-17-5-3-6-18-36)35-48(43)37-19-7-4-8-20-37/h3-35H,2H2,1H3
InChIKeyUSBLXDCKOPJSQR-UHFFFAOYSA-N
XLogP14.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.90
LogP ≤ 514.23
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

CID 174119147
CID 174119147
CID 174118896
CID 174118896
2-ethyl-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 170235572
2-ethyl-1-[3-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]benzimidazole
CID 169071753
2-ethyl-1-[4-[10-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045
2-ethyl-1-[3-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 169070919
2-ethyl-1-[4-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]phenyl]benzimidazole
CID 166043163
2-ethyl-1-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 170236015
2-ethyl-1-[3-[3-(2,3,4,5,6-pentadeuteriophenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 169070733
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
1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 170235619
2-ethyl-1-[4-(3-phenyl-10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 166042892

Frequently Asked Questions

What is the IUPAC name of 1-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]-2-ethylbenzimidazole?
The IUPAC name of 1-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]-2-ethylbenzimidazole (CID 139394595) is 1-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]-2-ethylbenzimidazole.
What is the SMILES notation for 1-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]-2-ethylbenzimidazole?
The canonical SMILES for 1-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]-2-ethylbenzimidazole is CCc1nc2ccccc2n1-c1cccc(-c2c3ccccc3c(-c3cccc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)c3)c3ccccc23)c1.
What is the InChIKey of 1-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]-2-ethylbenzimidazole?
The InChIKey is USBLXDCKOPJSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N2/c1-2-51-54-49-29-13-14-30-50(49)55(51)42-24-16-23-41(34-42)53-46-27-11-9-25-44(46)52(45-26-10-12-28-47(45)53)40-22-15-21-39(33-40)43-32-31-38(36-17-5-3-6-18-36)35-48(43)37-19-7-4-8-20-37/h3-35H,2H2,1H3.
What are the key properties of 1-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]-2-ethylbenzimidazole?
1-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]-2-ethylbenzimidazole has a molecular weight of 702.90 g/mol, XLogP of 14.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]-2-ethylbenzimidazole is sourced from PubChem (CID 139394595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).