5-[6-(1,2-diphenylbenzimidazol-5-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-1,2-diphenylbenzimidazole

C62H40N6 — CID 58953729

IUPAC5-[6-(1,2-diphenylbenzimidazol-5-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-1,2-diphenylbenzimidazole
SMILESc1ccc(-c2nc3cc(-c4ccc5c(-c6ccccn6)c6cc(-c7ccc8c(c7)nc(-c7ccccc7)n8-c7ccccc7)ccc6c(-c6ccccn6)c5c4)ccc3n2-c2ccccc2)cc1
InChIInChI=1S/C62H40N6/c1-5-17-41(18-6-1)61-65-55-39-45(29-33-57(55)67(61)47-21-9-3-10-22-47)43-27-31-49-51(37-43)59(53-25-13-15-35-63-53)50-32-28-44(38-52(50)60(49)54-26-14-16-36-64-54)46-30-34-58-56(40-46)66-62(42-19-7-2-8-20-42)68(58)48-23-11-4-12-24-48/h1-40H
InChIKeyODKDLVUKHAOWSZ-UHFFFAOYSA-N
MW869.04 g/mol
LogP15.46
Rot. Bonds8

About 5-[6-(1,2-diphenylbenzimidazol-5-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-1,2-diphenylbenzimidazole

5-[6-(1,2-diphenylbenzimidazol-5-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-1,2-diphenylbenzimidazole (PubChem CID 58953729) has the molecular formula C62H40N6 and a molecular weight of 869.04 g/mol. Its IUPAC name is 5-[6-(1,2-diphenylbenzimidazol-5-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-1,2-diphenylbenzimidazole.

Molecular Properties

Compound Name5-[6-(1,2-diphenylbenzimidazol-5-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-1,2-diphenylbenzimidazole
PubChem CID58953729
Molecular FormulaC62H40N6
Molecular Weight869.04 g/mol
Exact Mass868.33
IUPAC Name5-[6-(1,2-diphenylbenzimidazol-5-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-1,2-diphenylbenzimidazole
SMILESc1ccc(-c2nc3cc(-c4ccc5c(-c6ccccn6)c6cc(-c7ccc8c(c7)nc(-c7ccccc7)n8-c7ccccc7)ccc6c(-c6ccccn6)c5c4)ccc3n2-c2ccccc2)cc1
InChIInChI=1S/C62H40N6/c1-5-17-41(18-6-1)61-65-55-39-45(29-33-57(55)67(61)47-21-9-3-10-22-47)43-27-31-49-51(37-43)59(53-25-13-15-35-63-53)50-32-28-44(38-52(50)60(49)54-26-14-16-36-64-54)46-30-34-58-56(40-46)66-62(42-19-7-2-8-20-42)68(58)48-23-11-4-12-24-48/h1-40H
InChIKeyODKDLVUKHAOWSZ-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-[6-(1,2-diphenylbenzimidazol-5-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-1,2-diphenylbenzimidazole?
The IUPAC name of 5-[6-(1,2-diphenylbenzimidazol-5-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-1,2-diphenylbenzimidazole (CID 58953729) is 5-[6-(1,2-diphenylbenzimidazol-5-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-1,2-diphenylbenzimidazole.
What is the SMILES notation for 5-[6-(1,2-diphenylbenzimidazol-5-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-1,2-diphenylbenzimidazole?
The canonical SMILES for 5-[6-(1,2-diphenylbenzimidazol-5-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-1,2-diphenylbenzimidazole is c1ccc(-c2nc3cc(-c4ccc5c(-c6ccccn6)c6cc(-c7ccc8c(c7)nc(-c7ccccc7)n8-c7ccccc7)ccc6c(-c6ccccn6)c5c4)ccc3n2-c2ccccc2)cc1.
What is the InChIKey of 5-[6-(1,2-diphenylbenzimidazol-5-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-1,2-diphenylbenzimidazole?
The InChIKey is ODKDLVUKHAOWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N6/c1-5-17-41(18-6-1)61-65-55-39-45(29-33-57(55)67(61)47-21-9-3-10-22-47)43-27-31-49-51(37-43)59(53-25-13-15-35-63-53)50-32-28-44(38-52(50)60(49)54-26-14-16-36-64-54)46-30-34-58-56(40-46)66-62(42-19-7-2-8-20-42)68(58)48-23-11-4-12-24-48/h1-40H.
What are the key properties of 5-[6-(1,2-diphenylbenzimidazol-5-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-1,2-diphenylbenzimidazole?
5-[6-(1,2-diphenylbenzimidazol-5-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-1,2-diphenylbenzimidazole 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-[6-(1,2-diphenylbenzimidazol-5-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-1,2-diphenylbenzimidazole is sourced from PubChem (CID 58953729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).