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

C41H30N2 — CID 171405751

IUPAC1-ethyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
SMILESCCn1c(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)cc2)nc2ccccc21
InChIInChI=1S/C41H30N2/c1-2-43-38-19-11-10-18-37(38)42-41(43)32-26-24-31(25-27-32)40-35-16-8-6-14-33(35)39(34-15-7-9-17-36(34)40)30-22-20-29(21-23-30)28-12-4-3-5-13-28/h3-27H,2H2,1H3
InChIKeyUFRLWECKTBUNLC-UHFFFAOYSA-N
MW550.71 g/mol
LogP11.03
Rot. Bonds5

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

1-ethyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole (PubChem CID 171405751) has the molecular formula C41H30N2 and a molecular weight of 550.71 g/mol. Its IUPAC name is 1-ethyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
PubChem CID171405751
Molecular FormulaC41H30N2
Molecular Weight550.71 g/mol
Exact Mass550.24
IUPAC Name1-ethyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
SMILESCCn1c(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)cc2)nc2ccccc21
InChIInChI=1S/C41H30N2/c1-2-43-38-19-11-10-18-37(38)42-41(43)32-26-24-31(25-27-32)40-35-16-8-6-14-33(35)39(34-15-7-9-17-36(34)40)30-22-20-29(21-23-30)28-12-4-3-5-13-28/h3-27H,2H2,1H3
InChIKeyUFRLWECKTBUNLC-UHFFFAOYSA-N
XLogP11.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.71
LogP ≤ 511.03
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

1-ethyl-2-(6,9,10-triphenylanthracen-2-yl)benzimidazole
CID 129257085
5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole
CID 58953640
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
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
1-butyl-5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953743
2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320
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
4-(1-ethylbenzimidazol-2-yl)-2-fluoroaniline
CID 63187870
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
14-[4-(1-ethylbenzimidazol-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123636

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole?
The IUPAC name of 1-ethyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole (CID 171405751) is 1-ethyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole.
What is the SMILES notation for 1-ethyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole?
The canonical SMILES for 1-ethyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole is CCn1c(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)cc2)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole?
The InChIKey is UFRLWECKTBUNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N2/c1-2-43-38-19-11-10-18-37(38)42-41(43)32-26-24-31(25-27-32)40-35-16-8-6-14-33(35)39(34-15-7-9-17-36(34)40)30-22-20-29(21-23-30)28-12-4-3-5-13-28/h3-27H,2H2,1H3.
What are the key properties of 1-ethyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole?
1-ethyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole has a molecular weight of 550.71 g/mol, XLogP of 11.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole is sourced from PubChem (CID 171405751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).