2-ethyl-1-[4-[2-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]benzimidazole

C60H40N2 — CID 166043161

IUPAC2-ethyl-1-[4-[2-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]benzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C60H40N2/c1-2-57-61-55-26-14-15-27-56(55)62(57)42-32-28-39(29-33-42)58-47-21-6-7-22-48(47)59(49-35-30-40(36-50(49)58)38-16-4-3-5-17-38)41-31-34-46-45-20-10-13-25-53(45)60(54(46)37-41)51-23-11-8-18-43(51)44-19-9-12-24-52(44)60/h3-37H,2H2,1H3
InChIKeyQDNVKSDKHBXDKV-UHFFFAOYSA-N
MW788.99 g/mol
LogP15.24
Rot. Bonds5

About 2-ethyl-1-[4-[2-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]benzimidazole

2-ethyl-1-[4-[2-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]benzimidazole (PubChem CID 166043161) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is 2-ethyl-1-[4-[2-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name2-ethyl-1-[4-[2-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]benzimidazole
PubChem CID166043161
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC Name2-ethyl-1-[4-[2-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]benzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C60H40N2/c1-2-57-61-55-26-14-15-27-56(55)62(57)42-32-28-39(29-33-42)58-47-21-6-7-22-48(47)59(49-35-30-40(36-50(49)58)38-16-4-3-5-17-38)41-31-34-46-45-20-10-13-25-53(45)60(54(46)37-41)51-23-11-8-18-43(51)44-19-9-12-24-52(44)60/h3-37H,2H2,1H3
InChIKeyQDNVKSDKHBXDKV-UHFFFAOYSA-N
XLogP15.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.99
LogP ≤ 515.24
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-[4-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole
CID 166042974
1-[4-[10-[6-[4-[9-(9,9-diphenylfluoren-2-yl)-10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole
CID 167192166
2-ethyl-1-[4-(3-phenyl-10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 166042892
2-ethyl-1-[4-[10-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045
2-ethyl-1-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]benzimidazole
CID 166043047
2-ethyl-1-[4-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]phenyl]benzimidazole
CID 166043163
2-ethyl-1-[4-[3-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166042959
3-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 118688237
2-ethyl-1-[4-(10-phenanthren-4-yl-2-phenylanthracen-9-yl)phenyl]benzimidazole
CID 166042890
2'-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 170942089
1-[6-(9,10-diphenylanthracen-2-yl)naphthalen-2-yl]-2-ethylbenzimidazole
CID 170235698
2-ethyl-1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylanthracen-9-yl]phenyl]benzimidazole
CID 169071743

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-[2-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]benzimidazole?
The IUPAC name of 2-ethyl-1-[4-[2-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]benzimidazole (CID 166043161) is 2-ethyl-1-[4-[2-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]benzimidazole.
What is the SMILES notation for 2-ethyl-1-[4-[2-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]benzimidazole?
The canonical SMILES for 2-ethyl-1-[4-[2-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]benzimidazole is CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc(-c4ccccc4)cc23)cc1.
What is the InChIKey of 2-ethyl-1-[4-[2-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]benzimidazole?
The InChIKey is QDNVKSDKHBXDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-2-57-61-55-26-14-15-27-56(55)62(57)42-32-28-39(29-33-42)58-47-21-6-7-22-48(47)59(49-35-30-40(36-50(49)58)38-16-4-3-5-17-38)41-31-34-46-45-20-10-13-25-53(45)60(54(46)37-41)51-23-11-8-18-43(51)44-19-9-12-24-52(44)60/h3-37H,2H2,1H3.
What are the key properties of 2-ethyl-1-[4-[2-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]benzimidazole?
2-ethyl-1-[4-[2-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]benzimidazole has a molecular weight of 788.99 g/mol, XLogP of 15.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-[2-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]benzimidazole is sourced from PubChem (CID 166043161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).