2-phenyl-1-[6-(2-phenylbenzimidazol-1-yl)-9,10-dipyridin-2-ylanthracen-2-yl]benzimidazole

C50H32N6 — CID 58953670

IUPAC2-phenyl-1-[6-(2-phenylbenzimidazol-1-yl)-9,10-dipyridin-2-ylanthracen-2-yl]benzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc3c(-c4ccccn4)c4cc(-n5c(-c6ccccc6)nc6ccccc65)ccc4c(-c4ccccn4)c3c2)cc1
InChIInChI=1S/C50H32N6/c1-3-15-33(16-4-1)49-53-41-19-7-9-23-45(41)55(49)35-25-27-37-39(31-35)47(43-21-11-13-29-51-43)38-28-26-36(32-40(38)48(37)44-22-12-14-30-52-44)56-46-24-10-8-20-42(46)54-50(56)34-17-5-2-6-18-34/h1-32H
InChIKeySDBCZCRPBHDBDF-UHFFFAOYSA-N
MW716.85 g/mol
LogP12.13
Rot. Bonds6

About 2-phenyl-1-[6-(2-phenylbenzimidazol-1-yl)-9,10-dipyridin-2-ylanthracen-2-yl]benzimidazole

2-phenyl-1-[6-(2-phenylbenzimidazol-1-yl)-9,10-dipyridin-2-ylanthracen-2-yl]benzimidazole (PubChem CID 58953670) has the molecular formula C50H32N6 and a molecular weight of 716.85 g/mol. Its IUPAC name is 2-phenyl-1-[6-(2-phenylbenzimidazol-1-yl)-9,10-dipyridin-2-ylanthracen-2-yl]benzimidazole.

Molecular Properties

Compound Name2-phenyl-1-[6-(2-phenylbenzimidazol-1-yl)-9,10-dipyridin-2-ylanthracen-2-yl]benzimidazole
PubChem CID58953670
Molecular FormulaC50H32N6
Molecular Weight716.85 g/mol
Exact Mass716.27
IUPAC Name2-phenyl-1-[6-(2-phenylbenzimidazol-1-yl)-9,10-dipyridin-2-ylanthracen-2-yl]benzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc3c(-c4ccccn4)c4cc(-n5c(-c6ccccc6)nc6ccccc65)ccc4c(-c4ccccn4)c3c2)cc1
InChIInChI=1S/C50H32N6/c1-3-15-33(16-4-1)49-53-41-19-7-9-23-45(41)55(49)35-25-27-37-39(31-35)47(43-21-11-13-29-51-43)38-28-26-36(32-40(38)48(37)44-22-12-14-30-52-44)56-46-24-10-8-20-42(46)54-50(56)34-17-5-2-6-18-34/h1-32H
InChIKeySDBCZCRPBHDBDF-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 2-phenyl-1-[6-(2-phenylbenzimidazol-1-yl)-9,10-dipyridin-2-ylanthracen-2-yl]benzimidazole?
The IUPAC name of 2-phenyl-1-[6-(2-phenylbenzimidazol-1-yl)-9,10-dipyridin-2-ylanthracen-2-yl]benzimidazole (CID 58953670) is 2-phenyl-1-[6-(2-phenylbenzimidazol-1-yl)-9,10-dipyridin-2-ylanthracen-2-yl]benzimidazole.
What is the SMILES notation for 2-phenyl-1-[6-(2-phenylbenzimidazol-1-yl)-9,10-dipyridin-2-ylanthracen-2-yl]benzimidazole?
The canonical SMILES for 2-phenyl-1-[6-(2-phenylbenzimidazol-1-yl)-9,10-dipyridin-2-ylanthracen-2-yl]benzimidazole is c1ccc(-c2nc3ccccc3n2-c2ccc3c(-c4ccccn4)c4cc(-n5c(-c6ccccc6)nc6ccccc65)ccc4c(-c4ccccn4)c3c2)cc1.
What is the InChIKey of 2-phenyl-1-[6-(2-phenylbenzimidazol-1-yl)-9,10-dipyridin-2-ylanthracen-2-yl]benzimidazole?
The InChIKey is SDBCZCRPBHDBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6/c1-3-15-33(16-4-1)49-53-41-19-7-9-23-45(41)55(49)35-25-27-37-39(31-35)47(43-21-11-13-29-51-43)38-28-26-36(32-40(38)48(37)44-22-12-14-30-52-44)56-46-24-10-8-20-42(46)54-50(56)34-17-5-2-6-18-34/h1-32H.
What are the key properties of 2-phenyl-1-[6-(2-phenylbenzimidazol-1-yl)-9,10-dipyridin-2-ylanthracen-2-yl]benzimidazole?
2-phenyl-1-[6-(2-phenylbenzimidazol-1-yl)-9,10-dipyridin-2-ylanthracen-2-yl]benzimidazole 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 2-phenyl-1-[6-(2-phenylbenzimidazol-1-yl)-9,10-dipyridin-2-ylanthracen-2-yl]benzimidazole is sourced from PubChem (CID 58953670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).