11-(2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline

C47H27N5 — CID 138463325

IUPAC11-(2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline
SMILESc1ccc2c(c1)nc1n(-c3ccc4c5ccccc5c5cccnc5c4n3)c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3n21
InChIInChI=1S/C47H27N5/c1-2-12-32-30(10-1)31-11-3-6-15-35(31)39-26-28(19-21-36(32)39)29-20-23-42-43(27-29)51-41-18-8-7-17-40(41)49-47(51)52(42)44-24-22-38-34-14-5-4-13-33(34)37-16-9-25-48-45(37)46(38)50-44/h1-27H
InChIKeyYNPUCPODZLIYNC-UHFFFAOYSA-N
MW661.77 g/mol
LogP11.81
Rot. Bonds2

About 11-(2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline

11-(2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline (PubChem CID 138463325) has the molecular formula C47H27N5 and a molecular weight of 661.77 g/mol. Its IUPAC name is 11-(2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline.

Molecular Properties

Compound Name11-(2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline
PubChem CID138463325
Molecular FormulaC47H27N5
Molecular Weight661.77 g/mol
Exact Mass661.23
IUPAC Name11-(2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline
SMILESc1ccc2c(c1)nc1n(-c3ccc4c5ccccc5c5cccnc5c4n3)c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3n21
InChIInChI=1S/C47H27N5/c1-2-12-32-30(10-1)31-11-3-6-15-35(31)39-26-28(19-21-36(32)39)29-20-23-42-43(27-29)51-41-18-8-7-17-40(41)49-47(51)52(42)44-24-22-38-34-14-5-4-13-33(34)37-16-9-25-48-45(37)46(38)50-44/h1-27H
InChIKeyYNPUCPODZLIYNC-UHFFFAOYSA-N
XLogP11.81
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.77
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

11-(2-dibenzofuran-4-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline
CID 138463130
methane;2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole
CID 159554746
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989
2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinazolin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole
CID 158179675
11-(3-triphenylen-2-ylphenyl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene
CID 154646751
5-(2-phenylpyrimidin-5-yl)-2-[5-(2-phenylpyrimidin-5-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140948081
2-dibenzofuran-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 138463178
10-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 58038018
4,17-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 139484173
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 138463102
7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline
CID 129089080

Frequently Asked Questions

What is the IUPAC name of 11-(2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline?
The IUPAC name of 11-(2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline (CID 138463325) is 11-(2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline.
What is the SMILES notation for 11-(2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline?
The canonical SMILES for 11-(2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline is c1ccc2c(c1)nc1n(-c3ccc4c5ccccc5c5cccnc5c4n3)c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3n21.
What is the InChIKey of 11-(2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline?
The InChIKey is YNPUCPODZLIYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N5/c1-2-12-32-30(10-1)31-11-3-6-15-35(31)39-26-28(19-21-36(32)39)29-20-23-42-43(27-29)51-41-18-8-7-17-40(41)49-47(51)52(42)44-24-22-38-34-14-5-4-13-33(34)37-16-9-25-48-45(37)46(38)50-44/h1-27H.
What are the key properties of 11-(2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline?
11-(2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline has a molecular weight of 661.77 g/mol, XLogP of 11.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline is sourced from PubChem (CID 138463325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).