2-(4,5-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole

C50H32N6 — CID 140947996

IUPAC2-(4,5-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2ccc3nc4n(-c5ccccc5)c5ccc(-c6cc(-c7ccccc7)c7c(c6)n6c8ccccc8nc6n7-c6ccccc6)cc5n4c3c2)cc1
InChIInChI=1S/C50H32N6/c1-5-15-33(16-6-1)35-25-27-42-45(30-35)56-46-31-36(26-28-44(46)53(49(56)52-42)38-19-9-3-10-20-38)37-29-40(34-17-7-2-8-18-34)48-47(32-37)55-43-24-14-13-23-41(43)51-50(55)54(48)39-21-11-4-12-22-39/h1-32H
InChIKeyGQNLCEOXODPENM-UHFFFAOYSA-N
MW716.85 g/mol
LogP12.18
Rot. Bonds5

About 2-(4,5-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole

2-(4,5-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole (PubChem CID 140947996) has the molecular formula C50H32N6 and a molecular weight of 716.85 g/mol. Its IUPAC name is 2-(4,5-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(4,5-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole
PubChem CID140947996
Molecular FormulaC50H32N6
Molecular Weight716.85 g/mol
Exact Mass716.27
IUPAC Name2-(4,5-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2ccc3nc4n(-c5ccccc5)c5ccc(-c6cc(-c7ccccc7)c7c(c6)n6c8ccccc8nc6n7-c6ccccc6)cc5n4c3c2)cc1
InChIInChI=1S/C50H32N6/c1-5-15-33(16-6-1)35-25-27-42-45(30-35)56-46-31-36(26-28-44(46)53(49(56)52-42)38-19-9-3-10-20-38)37-29-40(34-17-7-2-8-18-34)48-47(32-37)55-43-24-14-13-23-41(43)51-50(55)54(48)39-21-11-4-12-22-39/h1-32H
InChIKeyGQNLCEOXODPENM-UHFFFAOYSA-N
XLogP12.18
TPSA44.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.85
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 2-(4,5-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole (CID 140947996) is 2-(4,5-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 2-(4,5-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 2-(4,5-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole is c1ccc(-c2ccc3nc4n(-c5ccccc5)c5ccc(-c6cc(-c7ccccc7)c7c(c6)n6c8ccccc8nc6n7-c6ccccc6)cc5n4c3c2)cc1.
What is the InChIKey of 2-(4,5-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole?
The InChIKey is GQNLCEOXODPENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6/c1-5-15-33(16-6-1)35-25-27-42-45(30-35)56-46-31-36(26-28-44(46)53(49(56)52-42)38-19-9-3-10-20-38)37-29-40(34-17-7-2-8-18-34)48-47(32-37)55-43-24-14-13-23-41(43)51-50(55)54(48)39-21-11-4-12-22-39/h1-32H.
What are the key properties of 2-(4,5-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole?
2-(4,5-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole has a molecular weight of 716.85 g/mol, XLogP of 12.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 140947996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).