2-ethyl-1-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole

C40H29N3 — CID 170236015

IUPAC2-ethyl-1-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccncc4)c3)c3ccccc23)cc1
InChIInChI=1S/C40H29N3/c1-2-38-42-36-16-7-8-17-37(36)43(38)31-20-18-28(19-21-31)39-32-12-3-5-14-34(32)40(35-15-6-4-13-33(35)39)30-11-9-10-29(26-30)27-22-24-41-25-23-27/h3-26H,2H2,1H3
InChIKeyPJNJKZSZJWVGQI-UHFFFAOYSA-N
MW551.69 g/mol
LogP10.29
Rot. Bonds5

About 2-ethyl-1-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole

2-ethyl-1-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole (PubChem CID 170236015) has the molecular formula C40H29N3 and a molecular weight of 551.69 g/mol. Its IUPAC name is 2-ethyl-1-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name2-ethyl-1-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
PubChem CID170236015
Molecular FormulaC40H29N3
Molecular Weight551.69 g/mol
Exact Mass551.24
IUPAC Name2-ethyl-1-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccncc4)c3)c3ccccc23)cc1
InChIInChI=1S/C40H29N3/c1-2-38-42-36-16-7-8-17-37(36)43(38)31-20-18-28(19-21-31)39-32-12-3-5-14-34(32)40(35-15-6-4-13-33(35)39)30-11-9-10-29(26-30)27-22-24-41-25-23-27/h3-26H,2H2,1H3
InChIKeyPJNJKZSZJWVGQI-UHFFFAOYSA-N
XLogP10.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.69
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-1-[4-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]phenyl]benzimidazole
CID 170236117
2-ethyl-1-[4-[10-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045
2-ethyl-1-[4-(3-phenyl-10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 166042892
2-ethyl-1-[4-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 153433793
2-ethyl-1-[4-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]phenyl]benzimidazole
CID 166043163
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 160637749
2-ethyl-1-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]benzimidazole
CID 166043047
CID 174118896
CID 174118896
2-methyl-1-[4-[10-[3-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 59408445
2-ethyl-1-[4-[3-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166042959
CID 174119147
CID 174119147
1-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]-2-ethylbenzimidazole
CID 139394595

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole?
The IUPAC name of 2-ethyl-1-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole (CID 170236015) is 2-ethyl-1-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole.
What is the SMILES notation for 2-ethyl-1-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole?
The canonical SMILES for 2-ethyl-1-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole is CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccncc4)c3)c3ccccc23)cc1.
What is the InChIKey of 2-ethyl-1-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole?
The InChIKey is PJNJKZSZJWVGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N3/c1-2-38-42-36-16-7-8-17-37(36)43(38)31-20-18-28(19-21-31)39-32-12-3-5-14-34(32)40(35-15-6-4-13-33(35)39)30-11-9-10-29(26-30)27-22-24-41-25-23-27/h3-26H,2H2,1H3.
What are the key properties of 2-ethyl-1-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole?
2-ethyl-1-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole has a molecular weight of 551.69 g/mol, XLogP of 10.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole is sourced from PubChem (CID 170236015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).