5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole

C47H34N2 — CID 58953640

IUPAC5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole
SMILESCCn1c(-c2ccccc2)nc2cc(-c3ccc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)cc3)ccc21
InChIInChI=1S/C47H34N2/c1-2-49-44-29-27-38(31-43(44)48-47(49)36-18-10-5-11-19-36)33-24-22-32(23-25-33)37-26-28-41-42(30-37)46(35-16-8-4-9-17-35)40-21-13-12-20-39(40)45(41)34-14-6-3-7-15-34/h3-31H,2H2,1H3
InChIKeyVBPSIVYCZCYXDF-UHFFFAOYSA-N
MW626.80 g/mol
LogP12.70
Rot. Bonds6

About 5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole

5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole (PubChem CID 58953640) has the molecular formula C47H34N2 and a molecular weight of 626.80 g/mol. Its IUPAC name is 5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole.

Molecular Properties

Compound Name5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole
PubChem CID58953640
Molecular FormulaC47H34N2
Molecular Weight626.80 g/mol
Exact Mass626.27
IUPAC Name5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole
SMILESCCn1c(-c2ccccc2)nc2cc(-c3ccc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)cc3)ccc21
InChIInChI=1S/C47H34N2/c1-2-49-44-29-27-38(31-43(44)48-47(49)36-18-10-5-11-19-36)33-24-22-32(23-25-33)37-26-28-41-42(30-37)46(35-16-8-4-9-17-35)40-21-13-12-20-39(40)45(41)34-14-6-3-7-15-34/h3-31H,2H2,1H3
InChIKeyVBPSIVYCZCYXDF-UHFFFAOYSA-N
XLogP12.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.80
LogP ≤ 512.70
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

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
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
9-ethyl-3-[4-[10-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)carbazole;9-ethyl-3-[4-[4-[10-[4-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-6-(4-phenylphenyl)carbazole
CID 158925284
5-(9,10-diphenylanthracen-2-yl)-1-iodo-2-phenylbenzimidazole
CID 89014121
1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole
CID 58953775
1-ethyl-2-methyl-5-phenylbenzimidazole
CID 746920
5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole
CID 58953632
5-(9,10-diphenylanthracen-2-yl)-1,2-dimethylbenzimidazole
CID 58953715
9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]carbazole;9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 161126635
5-[4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole
CID 58953645

Frequently Asked Questions

What is the IUPAC name of 5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole?
The IUPAC name of 5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole (CID 58953640) is 5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole.
What is the SMILES notation for 5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole?
The canonical SMILES for 5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole is CCn1c(-c2ccccc2)nc2cc(-c3ccc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)cc3)ccc21.
What is the InChIKey of 5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole?
The InChIKey is VBPSIVYCZCYXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2/c1-2-49-44-29-27-38(31-43(44)48-47(49)36-18-10-5-11-19-36)33-24-22-32(23-25-33)37-26-28-41-42(30-37)46(35-16-8-4-9-17-35)40-21-13-12-20-39(40)45(41)34-14-6-3-7-15-34/h3-31H,2H2,1H3.
What are the key properties of 5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole?
5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole has a molecular weight of 626.80 g/mol, XLogP of 12.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole is sourced from PubChem (CID 58953640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).