1-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole

C41H28N2O — CID 170236505

IUPAC1-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1-c1c2ccccc2c(-c2cccc3oc4ccccc4c23)c2cc(-c3ccccc3)ccc12
InChIInChI=1S/C41H28N2O/c1-2-38-42-34-19-9-10-20-35(34)43(38)41-29-16-7-6-15-28(29)39(33-25-27(23-24-30(33)41)26-13-4-3-5-14-26)32-18-12-22-37-40(32)31-17-8-11-21-36(31)44-37/h3-25H,2H2,1H3
InChIKeyNRTCFYOSKZQEID-UHFFFAOYSA-N
MW564.69 g/mol
LogP11.13
Rot. Bonds4

About 1-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole

1-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole (PubChem CID 170236505) has the molecular formula C41H28N2O and a molecular weight of 564.69 g/mol. Its IUPAC name is 1-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole.

Molecular Properties

Compound Name1-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole
PubChem CID170236505
Molecular FormulaC41H28N2O
Molecular Weight564.69 g/mol
Exact Mass564.22
IUPAC Name1-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1-c1c2ccccc2c(-c2cccc3oc4ccccc4c23)c2cc(-c3ccccc3)ccc12
InChIInChI=1S/C41H28N2O/c1-2-38-42-34-19-9-10-20-35(34)43(38)41-29-16-7-6-15-28(29)39(33-25-27(23-24-30(33)41)26-13-4-3-5-14-26)32-18-12-22-37-40(32)31-17-8-11-21-36(31)44-37/h3-25H,2H2,1H3
InChIKeyNRTCFYOSKZQEID-UHFFFAOYSA-N
XLogP11.13
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 511.13
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

1-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)naphthalen-1-yl]-2-ethylbenzimidazole
CID 170236605
CID 174120001
CID 174120001
1-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole
CID 170236506
CID 174120702
CID 174120702
2-ethyl-1-[4-(10-phenanthren-4-yl-2-phenylanthracen-9-yl)phenyl]benzimidazole
CID 166042890
2-ethyl-1-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]benzimidazole
CID 166043047
2-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)phenyl]-1-naphthalen-2-ylbenzimidazole
CID 170236636
1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
CID 168795804
2-ethyl-1-[4-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]phenyl]benzimidazole
CID 166043163
1-[10-dibenzofuran-1-yl-3-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole
CID 169071484
2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole
CID 155788451
2-ethyl-1-[4-[10-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045

Frequently Asked Questions

What is the IUPAC name of 1-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole?
The IUPAC name of 1-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole (CID 170236505) is 1-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole.
What is the SMILES notation for 1-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole?
The canonical SMILES for 1-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole is CCc1nc2ccccc2n1-c1c2ccccc2c(-c2cccc3oc4ccccc4c23)c2cc(-c3ccccc3)ccc12.
What is the InChIKey of 1-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole?
The InChIKey is NRTCFYOSKZQEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2O/c1-2-38-42-34-19-9-10-20-35(34)43(38)41-29-16-7-6-15-28(29)39(33-25-27(23-24-30(33)41)26-13-4-3-5-14-26)32-18-12-22-37-40(32)31-17-8-11-21-36(31)44-37/h3-25H,2H2,1H3.
What are the key properties of 1-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole?
1-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole has a molecular weight of 564.69 g/mol, XLogP of 11.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole is sourced from PubChem (CID 170236505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).