2-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-5-phenylphenanthridin-6-one

C48H33N3O — CID 134576259

IUPAC2-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-5-phenylphenanthridin-6-one
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3c(=O)n4-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C48H33N3O/c1-2-45-49-42-22-12-13-23-44(42)50(45)34-27-24-31(25-28-34)46-36-17-7-9-19-38(36)47(39-20-10-8-18-37(39)46)32-26-29-43-41(30-32)35-16-6-11-21-40(35)48(52)51(43)33-14-4-3-5-15-33/h3-30H,2H2,1H3
InChIKeyBEIJSSNBRNOGFQ-UHFFFAOYSA-N
MW667.81 g/mol
LogP11.69
Rot. Bonds5

About 2-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-5-phenylphenanthridin-6-one

2-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-5-phenylphenanthridin-6-one (PubChem CID 134576259) has the molecular formula C48H33N3O and a molecular weight of 667.81 g/mol. Its IUPAC name is 2-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-5-phenylphenanthridin-6-one.

Molecular Properties

Compound Name2-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-5-phenylphenanthridin-6-one
PubChem CID134576259
Molecular FormulaC48H33N3O
Molecular Weight667.81 g/mol
Exact Mass667.26
IUPAC Name2-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-5-phenylphenanthridin-6-one
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3c(=O)n4-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C48H33N3O/c1-2-45-49-42-22-12-13-23-44(42)50(45)34-27-24-31(25-28-34)46-36-17-7-9-19-38(36)47(39-20-10-8-18-37(39)46)32-26-29-43-41(30-32)35-16-6-11-21-40(35)48(52)51(43)33-14-4-3-5-15-33/h3-30H,2H2,1H3
InChIKeyBEIJSSNBRNOGFQ-UHFFFAOYSA-N
XLogP11.69
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.81
LogP ≤ 511.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-phenyl-10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 166042892
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-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045
1-[4-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]phenyl]-2-ethylbenzimidazole
CID 170236754
1-[6-(9,10-diphenylanthracen-2-yl)naphthalen-2-yl]-2-ethylbenzimidazole
CID 170235698
2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one;8-(10-dibenzofuran-4-ylanthracen-9-yl)-5-phenylphenanthridin-6-one;2-[9-[4-(2-ethylbenzimidazol-1-yl)phenyl]-10-(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one;5-[6-(6-oxophenanthridin-5-yl)-9,10-diphenylanthracen-2-yl]phenanthridin-6-one;5-phenyl-8-[10-(4-phenylphenyl)anthracen-9-yl]phenanthridin-6-one;5-phenyl-2-[10-(4-phenylphenyl)-9-pyrimidin-5-ylanthracen-2-yl]phenanthridin-6-one
CID 158155485
2-ethyl-1-[4-[3-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166042959
2-ethyl-1-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 170236015
2-ethyl-1-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]benzimidazole
CID 166043047
CID 174118971
CID 174118971
2-ethyl-1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylanthracen-9-yl]phenyl]benzimidazole
CID 169071743
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-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-5-phenylphenanthridin-6-one?
The IUPAC name of 2-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-5-phenylphenanthridin-6-one (CID 134576259) is 2-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-5-phenylphenanthridin-6-one.
What is the SMILES notation for 2-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-5-phenylphenanthridin-6-one?
The canonical SMILES for 2-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-5-phenylphenanthridin-6-one is CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3c(=O)n4-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 2-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-5-phenylphenanthridin-6-one?
The InChIKey is BEIJSSNBRNOGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3O/c1-2-45-49-42-22-12-13-23-44(42)50(45)34-27-24-31(25-28-34)46-36-17-7-9-19-38(36)47(39-20-10-8-18-37(39)46)32-26-29-43-41(30-32)35-16-6-11-21-40(35)48(52)51(43)33-14-4-3-5-15-33/h3-30H,2H2,1H3.
What are the key properties of 2-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-5-phenylphenanthridin-6-one?
2-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-5-phenylphenanthridin-6-one has a molecular weight of 667.81 g/mol, XLogP of 11.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-5-phenylphenanthridin-6-one is sourced from PubChem (CID 134576259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).