5-[9,10-diphenyl-6-(2-phenyl-1-pyridin-2-ylbenzimidazol-5-yl)anthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole

C62H40N6 — CID 58953699

IUPAC5-[9,10-diphenyl-6-(2-phenyl-1-pyridin-2-ylbenzimidazol-5-yl)anthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole
SMILESc1ccc(-c2c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)n5-c4ccccn4)cc3c(-c3ccccc3)c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)n5-c4ccccn4)cc23)cc1
InChIInChI=1S/C62H40N6/c1-5-17-41(18-6-1)59-49-31-27-46(48-30-34-56-54(40-48)66-62(44-23-11-4-12-24-44)68(56)58-26-14-16-36-64-58)38-52(49)60(42-19-7-2-8-20-42)50-32-28-45(37-51(50)59)47-29-33-55-53(39-47)65-61(43-21-9-3-10-22-43)67(55)57-25-13-15-35-63-57/h1-40H
InChIKeyOFZTUTZOCBGFFG-UHFFFAOYSA-N
MW869.04 g/mol
LogP15.46
Rot. Bonds8

About 5-[9,10-diphenyl-6-(2-phenyl-1-pyridin-2-ylbenzimidazol-5-yl)anthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole

5-[9,10-diphenyl-6-(2-phenyl-1-pyridin-2-ylbenzimidazol-5-yl)anthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole (PubChem CID 58953699) has the molecular formula C62H40N6 and a molecular weight of 869.04 g/mol. Its IUPAC name is 5-[9,10-diphenyl-6-(2-phenyl-1-pyridin-2-ylbenzimidazol-5-yl)anthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole.

Molecular Properties

Compound Name5-[9,10-diphenyl-6-(2-phenyl-1-pyridin-2-ylbenzimidazol-5-yl)anthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole
PubChem CID58953699
Molecular FormulaC62H40N6
Molecular Weight869.04 g/mol
Exact Mass868.33
IUPAC Name5-[9,10-diphenyl-6-(2-phenyl-1-pyridin-2-ylbenzimidazol-5-yl)anthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole
SMILESc1ccc(-c2c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)n5-c4ccccn4)cc3c(-c3ccccc3)c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)n5-c4ccccn4)cc23)cc1
InChIInChI=1S/C62H40N6/c1-5-17-41(18-6-1)59-49-31-27-46(48-30-34-56-54(40-48)66-62(44-23-11-4-12-24-44)68(56)58-26-14-16-36-64-58)38-52(49)60(42-19-7-2-8-20-42)50-32-28-45(37-51(50)59)47-29-33-55-53(39-47)65-61(43-21-9-3-10-22-43)67(55)57-25-13-15-35-63-57/h1-40H
InChIKeyOFZTUTZOCBGFFG-UHFFFAOYSA-N
XLogP15.46
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.04
LogP ≤ 515.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[9,10-diphenyl-6-(2-phenyl-1-pyridin-2-ylbenzimidazol-5-yl)anthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole?
The IUPAC name of 5-[9,10-diphenyl-6-(2-phenyl-1-pyridin-2-ylbenzimidazol-5-yl)anthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole (CID 58953699) is 5-[9,10-diphenyl-6-(2-phenyl-1-pyridin-2-ylbenzimidazol-5-yl)anthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole.
What is the SMILES notation for 5-[9,10-diphenyl-6-(2-phenyl-1-pyridin-2-ylbenzimidazol-5-yl)anthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole?
The canonical SMILES for 5-[9,10-diphenyl-6-(2-phenyl-1-pyridin-2-ylbenzimidazol-5-yl)anthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole is c1ccc(-c2c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)n5-c4ccccn4)cc3c(-c3ccccc3)c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)n5-c4ccccn4)cc23)cc1.
What is the InChIKey of 5-[9,10-diphenyl-6-(2-phenyl-1-pyridin-2-ylbenzimidazol-5-yl)anthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole?
The InChIKey is OFZTUTZOCBGFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N6/c1-5-17-41(18-6-1)59-49-31-27-46(48-30-34-56-54(40-48)66-62(44-23-11-4-12-24-44)68(56)58-26-14-16-36-64-58)38-52(49)60(42-19-7-2-8-20-42)50-32-28-45(37-51(50)59)47-29-33-55-53(39-47)65-61(43-21-9-3-10-22-43)67(55)57-25-13-15-35-63-57/h1-40H.
What are the key properties of 5-[9,10-diphenyl-6-(2-phenyl-1-pyridin-2-ylbenzimidazol-5-yl)anthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole?
5-[9,10-diphenyl-6-(2-phenyl-1-pyridin-2-ylbenzimidazol-5-yl)anthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole has a molecular weight of 869.04 g/mol, XLogP of 15.46, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9,10-diphenyl-6-(2-phenyl-1-pyridin-2-ylbenzimidazol-5-yl)anthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole is sourced from PubChem (CID 58953699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).