1-ethyl-2-phenyl-5-[4-[10-[2-(4-phenylphenyl)phenyl]-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]anthracen-2-yl]phenyl]benzimidazole

C77H54N2 — CID 58389750

IUPAC1-ethyl-2-phenyl-5-[4-[10-[2-(4-phenylphenyl)phenyl]-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]anthracen-2-yl]phenyl]benzimidazole
SMILESCCn1c(-c2ccccc2)nc2cc(-c3ccc(-c4ccc5c(-c6ccccc6-c6ccc(-c7ccccc7)cc6)c6ccccc6c(-c6ccccc6-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c5c4)cc3)ccc21
InChIInChI=1S/C77H54N2/c1-2-79-74-49-47-64(51-73(74)78-77(79)62-22-10-5-11-23-62)59-36-34-58(35-37-59)63-46-48-71-72(50-63)76(68-27-15-13-25-66(68)61-44-40-57(41-45-61)56-32-30-54(31-33-56)52-18-6-3-7-19-52)70-29-17-16-28-69(70)75(71)67-26-14-12-24-65(67)60-42-38-55(39-43-60)53-20-8-4-9-21-53/h3-51H,2H2,1H3
InChIKeyWRLWENUZZCUBLO-UHFFFAOYSA-N
MW1007.29 g/mol
LogP21.03
Rot. Bonds11

About 1-ethyl-2-phenyl-5-[4-[10-[2-(4-phenylphenyl)phenyl]-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]anthracen-2-yl]phenyl]benzimidazole

1-ethyl-2-phenyl-5-[4-[10-[2-(4-phenylphenyl)phenyl]-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]anthracen-2-yl]phenyl]benzimidazole (PubChem CID 58389750) has the molecular formula C77H54N2 and a molecular weight of 1007.29 g/mol. Its IUPAC name is 1-ethyl-2-phenyl-5-[4-[10-[2-(4-phenylphenyl)phenyl]-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]anthracen-2-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-phenyl-5-[4-[10-[2-(4-phenylphenyl)phenyl]-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]anthracen-2-yl]phenyl]benzimidazole
PubChem CID58389750
Molecular FormulaC77H54N2
Molecular Weight1007.29 g/mol
Exact Mass1006.43
IUPAC Name1-ethyl-2-phenyl-5-[4-[10-[2-(4-phenylphenyl)phenyl]-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]anthracen-2-yl]phenyl]benzimidazole
SMILESCCn1c(-c2ccccc2)nc2cc(-c3ccc(-c4ccc5c(-c6ccccc6-c6ccc(-c7ccccc7)cc6)c6ccccc6c(-c6ccccc6-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c5c4)cc3)ccc21
InChIInChI=1S/C77H54N2/c1-2-79-74-49-47-64(51-73(74)78-77(79)62-22-10-5-11-23-62)59-36-34-58(35-37-59)63-46-48-71-72(50-63)76(68-27-15-13-25-66(68)61-44-40-57(41-45-61)56-32-30-54(31-33-56)52-18-6-3-7-19-52)70-29-17-16-28-69(70)75(71)67-26-14-12-24-65(67)60-42-38-55(39-43-60)53-20-8-4-9-21-53/h3-51H,2H2,1H3
InChIKeyWRLWENUZZCUBLO-UHFFFAOYSA-N
XLogP21.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001007.29
LogP ≤ 521.03
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

5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole
CID 58953640
1-ethyl-2-(6,9,10-triphenylanthracen-2-yl)benzimidazole
CID 129257085
1-butyl-5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953743
1-ethyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 171405751
1-ethyl-5-[4-[6-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]naphthalen-2-yl]phenyl]-2-phenylbenzimidazole
CID 167412667
1-ethyl-2-methyl-5-phenylbenzimidazole
CID 746920
1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole
CID 20771522
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene
CID 18740150
1-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole
CID 59010697
9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
CID 58323636
2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene
CID 158302450
3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene
CID 177264858

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-phenyl-5-[4-[10-[2-(4-phenylphenyl)phenyl]-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]anthracen-2-yl]phenyl]benzimidazole?
The IUPAC name of 1-ethyl-2-phenyl-5-[4-[10-[2-(4-phenylphenyl)phenyl]-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]anthracen-2-yl]phenyl]benzimidazole (CID 58389750) is 1-ethyl-2-phenyl-5-[4-[10-[2-(4-phenylphenyl)phenyl]-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]anthracen-2-yl]phenyl]benzimidazole.
What is the SMILES notation for 1-ethyl-2-phenyl-5-[4-[10-[2-(4-phenylphenyl)phenyl]-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]anthracen-2-yl]phenyl]benzimidazole?
The canonical SMILES for 1-ethyl-2-phenyl-5-[4-[10-[2-(4-phenylphenyl)phenyl]-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]anthracen-2-yl]phenyl]benzimidazole is CCn1c(-c2ccccc2)nc2cc(-c3ccc(-c4ccc5c(-c6ccccc6-c6ccc(-c7ccccc7)cc6)c6ccccc6c(-c6ccccc6-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c5c4)cc3)ccc21.
What is the InChIKey of 1-ethyl-2-phenyl-5-[4-[10-[2-(4-phenylphenyl)phenyl]-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]anthracen-2-yl]phenyl]benzimidazole?
The InChIKey is WRLWENUZZCUBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H54N2/c1-2-79-74-49-47-64(51-73(74)78-77(79)62-22-10-5-11-23-62)59-36-34-58(35-37-59)63-46-48-71-72(50-63)76(68-27-15-13-25-66(68)61-44-40-57(41-45-61)56-32-30-54(31-33-56)52-18-6-3-7-19-52)70-29-17-16-28-69(70)75(71)67-26-14-12-24-65(67)60-42-38-55(39-43-60)53-20-8-4-9-21-53/h3-51H,2H2,1H3.
What are the key properties of 1-ethyl-2-phenyl-5-[4-[10-[2-(4-phenylphenyl)phenyl]-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]anthracen-2-yl]phenyl]benzimidazole?
1-ethyl-2-phenyl-5-[4-[10-[2-(4-phenylphenyl)phenyl]-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]anthracen-2-yl]phenyl]benzimidazole has a molecular weight of 1007.29 g/mol, XLogP of 21.03, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-phenyl-5-[4-[10-[2-(4-phenylphenyl)phenyl]-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]anthracen-2-yl]phenyl]benzimidazole is sourced from PubChem (CID 58389750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).