2-ethyl-1-(10-phenanthren-9-ylanthracen-9-yl)benzimidazole

C37H26N2 — CID 152897152

IUPAC2-ethyl-1-(10-phenanthren-9-ylanthracen-9-yl)benzimidazole
SMILESCCc1nc2ccccc2n1-c1c2ccccc2c(-c2cc3ccccc3c3ccccc23)c2ccccc12
InChIInChI=1S/C37H26N2/c1-2-35-38-33-21-11-12-22-34(33)39(35)37-30-19-9-7-17-28(30)36(29-18-8-10-20-31(29)37)32-23-24-13-3-4-14-25(24)26-15-5-6-16-27(26)32/h3-23H,2H2,1H3
InChIKeyUEPNJOUAUIJOLG-UHFFFAOYSA-N
MW498.63 g/mol
LogP9.87
Rot. Bonds3

About 2-ethyl-1-(10-phenanthren-9-ylanthracen-9-yl)benzimidazole

2-ethyl-1-(10-phenanthren-9-ylanthracen-9-yl)benzimidazole (PubChem CID 152897152) has the molecular formula C37H26N2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 2-ethyl-1-(10-phenanthren-9-ylanthracen-9-yl)benzimidazole.

Molecular Properties

Compound Name2-ethyl-1-(10-phenanthren-9-ylanthracen-9-yl)benzimidazole
PubChem CID152897152
Molecular FormulaC37H26N2
Molecular Weight498.63 g/mol
Exact Mass498.21
IUPAC Name2-ethyl-1-(10-phenanthren-9-ylanthracen-9-yl)benzimidazole
SMILESCCc1nc2ccccc2n1-c1c2ccccc2c(-c2cc3ccccc3c3ccccc23)c2ccccc12
InChIInChI=1S/C37H26N2/c1-2-35-38-33-21-11-12-22-34(33)39(35)37-30-19-9-7-17-28(30)36(29-18-8-10-20-31(29)37)32-23-24-13-3-4-14-25(24)26-15-5-6-16-27(26)32/h3-23H,2H2,1H3
InChIKeyUEPNJOUAUIJOLG-UHFFFAOYSA-N
XLogP9.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-1-[4-(10-phenanthren-9-yl-3-phenylanthracen-9-yl)naphthalen-1-yl]benzimidazole
CID 166043037
2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole
CID 155788451
2-methyl-1-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole
CID 58898396
2-ethyl-1-[4-(10-phenanthren-2-yl-3-phenylanthracen-9-yl)naphthalen-1-yl]benzimidazole
CID 166043088
2-(1,1,2,2,2-pentadeuterioethyl)-1-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole
CID 169071078
CID 174120001
CID 174120001
1-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole
CID 170236505
1-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole
CID 170236506
1-naphthalen-1-yl-2-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole
CID 170236310
1-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenanthren-9-ylphenyl]-2-ethylbenzimidazole
CID 176622561
2-ethyl-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 170235572
2-ethyl-1-[4-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]phenyl]benzimidazole
CID 166043163

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(10-phenanthren-9-ylanthracen-9-yl)benzimidazole?
The IUPAC name of 2-ethyl-1-(10-phenanthren-9-ylanthracen-9-yl)benzimidazole (CID 152897152) is 2-ethyl-1-(10-phenanthren-9-ylanthracen-9-yl)benzimidazole.
What is the SMILES notation for 2-ethyl-1-(10-phenanthren-9-ylanthracen-9-yl)benzimidazole?
The canonical SMILES for 2-ethyl-1-(10-phenanthren-9-ylanthracen-9-yl)benzimidazole is CCc1nc2ccccc2n1-c1c2ccccc2c(-c2cc3ccccc3c3ccccc23)c2ccccc12.
What is the InChIKey of 2-ethyl-1-(10-phenanthren-9-ylanthracen-9-yl)benzimidazole?
The InChIKey is UEPNJOUAUIJOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2/c1-2-35-38-33-21-11-12-22-34(33)39(35)37-30-19-9-7-17-28(30)36(29-18-8-10-20-31(29)37)32-23-24-13-3-4-14-25(24)26-15-5-6-16-27(26)32/h3-23H,2H2,1H3.
What are the key properties of 2-ethyl-1-(10-phenanthren-9-ylanthracen-9-yl)benzimidazole?
2-ethyl-1-(10-phenanthren-9-ylanthracen-9-yl)benzimidazole has a molecular weight of 498.63 g/mol, XLogP of 9.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(10-phenanthren-9-ylanthracen-9-yl)benzimidazole is sourced from PubChem (CID 152897152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).