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

C50H32N6 — CID 58953654

IUPAC1-[9,10-diphenyl-6-(2-pyridin-2-ylbenzimidazol-1-yl)anthracen-2-yl]-2-pyridin-2-ylbenzimidazole
SMILESc1ccc(-c2c3ccc(-n4c(-c5ccccn5)nc5ccccc54)cc3c(-c3ccccc3)c3ccc(-n4c(-c5ccccn5)nc5ccccc54)cc23)cc1
InChIInChI=1S/C50H32N6/c1-3-15-33(16-4-1)47-37-27-25-36(56-46-24-10-8-20-42(46)54-50(56)44-22-12-14-30-52-44)32-40(37)48(34-17-5-2-6-18-34)38-28-26-35(31-39(38)47)55-45-23-9-7-19-41(45)53-49(55)43-21-11-13-29-51-43/h1-32H
InChIKeyVGLREOYWCWKOHT-UHFFFAOYSA-N
MW716.85 g/mol
LogP12.13
Rot. Bonds6

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

1-[9,10-diphenyl-6-(2-pyridin-2-ylbenzimidazol-1-yl)anthracen-2-yl]-2-pyridin-2-ylbenzimidazole (PubChem CID 58953654) has the molecular formula C50H32N6 and a molecular weight of 716.85 g/mol. Its IUPAC name is 1-[9,10-diphenyl-6-(2-pyridin-2-ylbenzimidazol-1-yl)anthracen-2-yl]-2-pyridin-2-ylbenzimidazole.

Molecular Properties

Compound Name1-[9,10-diphenyl-6-(2-pyridin-2-ylbenzimidazol-1-yl)anthracen-2-yl]-2-pyridin-2-ylbenzimidazole
PubChem CID58953654
Molecular FormulaC50H32N6
Molecular Weight716.85 g/mol
Exact Mass716.27
IUPAC Name1-[9,10-diphenyl-6-(2-pyridin-2-ylbenzimidazol-1-yl)anthracen-2-yl]-2-pyridin-2-ylbenzimidazole
SMILESc1ccc(-c2c3ccc(-n4c(-c5ccccn5)nc5ccccc54)cc3c(-c3ccccc3)c3ccc(-n4c(-c5ccccn5)nc5ccccc54)cc23)cc1
InChIInChI=1S/C50H32N6/c1-3-15-33(16-4-1)47-37-27-25-36(56-46-24-10-8-20-42(46)54-50(56)44-22-12-14-30-52-44)32-40(37)48(34-17-5-2-6-18-34)38-28-26-35(31-39(38)47)55-45-23-9-7-19-41(45)53-49(55)43-21-11-13-29-51-43/h1-32H
InChIKeyVGLREOYWCWKOHT-UHFFFAOYSA-N
XLogP12.13
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.85
LogP ≤ 512.13
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 1-[9,10-diphenyl-6-(2-pyridin-2-ylbenzimidazol-1-yl)anthracen-2-yl]-2-pyridin-2-ylbenzimidazole?
The IUPAC name of 1-[9,10-diphenyl-6-(2-pyridin-2-ylbenzimidazol-1-yl)anthracen-2-yl]-2-pyridin-2-ylbenzimidazole (CID 58953654) is 1-[9,10-diphenyl-6-(2-pyridin-2-ylbenzimidazol-1-yl)anthracen-2-yl]-2-pyridin-2-ylbenzimidazole.
What is the SMILES notation for 1-[9,10-diphenyl-6-(2-pyridin-2-ylbenzimidazol-1-yl)anthracen-2-yl]-2-pyridin-2-ylbenzimidazole?
The canonical SMILES for 1-[9,10-diphenyl-6-(2-pyridin-2-ylbenzimidazol-1-yl)anthracen-2-yl]-2-pyridin-2-ylbenzimidazole is c1ccc(-c2c3ccc(-n4c(-c5ccccn5)nc5ccccc54)cc3c(-c3ccccc3)c3ccc(-n4c(-c5ccccn5)nc5ccccc54)cc23)cc1.
What is the InChIKey of 1-[9,10-diphenyl-6-(2-pyridin-2-ylbenzimidazol-1-yl)anthracen-2-yl]-2-pyridin-2-ylbenzimidazole?
The InChIKey is VGLREOYWCWKOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6/c1-3-15-33(16-4-1)47-37-27-25-36(56-46-24-10-8-20-42(46)54-50(56)44-22-12-14-30-52-44)32-40(37)48(34-17-5-2-6-18-34)38-28-26-35(31-39(38)47)55-45-23-9-7-19-41(45)53-49(55)43-21-11-13-29-51-43/h1-32H.
What are the key properties of 1-[9,10-diphenyl-6-(2-pyridin-2-ylbenzimidazol-1-yl)anthracen-2-yl]-2-pyridin-2-ylbenzimidazole?
1-[9,10-diphenyl-6-(2-pyridin-2-ylbenzimidazol-1-yl)anthracen-2-yl]-2-pyridin-2-ylbenzimidazole has a molecular weight of 716.85 g/mol, XLogP of 12.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9,10-diphenyl-6-(2-pyridin-2-ylbenzimidazol-1-yl)anthracen-2-yl]-2-pyridin-2-ylbenzimidazole is sourced from PubChem (CID 58953654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).