5-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole

C50H31N7O — CID 169289282

IUPAC5-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole
SMILESc1cc(Oc2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4n4c5ccccc5nc34)c2)cc(-n2c3ccccc3n3c4ccccc4nc23)c1
InChIInChI=1S/C50H31N7O/c1-5-20-41-37(16-1)38-17-2-6-21-42(38)53(41)33-28-34(55-46-25-10-12-27-48(46)57-44-23-8-4-19-40(44)52-50(55)57)31-36(30-33)58-35-15-13-14-32(29-35)54-45-24-9-11-26-47(45)56-43-22-7-3-18-39(43)51-49(54)56/h1-31H
InChIKeyGXAHCAMXNAVAPK-UHFFFAOYSA-N
MW745.85 g/mol
LogP12.07
Rot. Bonds5

About 5-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole

5-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 169289282) has the molecular formula C50H31N7O and a molecular weight of 745.85 g/mol. Its IUPAC name is 5-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole
PubChem CID169289282
Molecular FormulaC50H31N7O
Molecular Weight745.85 g/mol
Exact Mass745.26
IUPAC Name5-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole
SMILESc1cc(Oc2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4n4c5ccccc5nc34)c2)cc(-n2c3ccccc3n3c4ccccc4nc23)c1
InChIInChI=1S/C50H31N7O/c1-5-20-41-37(16-1)38-17-2-6-21-42(38)53(41)33-28-34(55-46-25-10-12-27-48(46)57-44-23-8-4-19-40(44)52-50(55)57)31-36(30-33)58-35-15-13-14-32(29-35)54-45-24-9-11-26-47(45)56-43-22-7-3-18-39(43)51-49(54)56/h1-31H
InChIKeyGXAHCAMXNAVAPK-UHFFFAOYSA-N
XLogP12.07
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.85
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546209
5-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrido[4,3-b]indol-7-yl]benzimidazolo[1,2-a]benzimidazole
CID 169077352
5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 169077515
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 169077493
10-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaene
CID 169077364
[3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 171405556
bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462912
6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]indole
CID 146631411
5-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 140932542
5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146631705
5-[9-[3-(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 174283099
3-tert-butyl-5-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazolo[1,2-a]benzimidazole
CID 169289194

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole (CID 169289282) is 5-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole is c1cc(Oc2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4n4c5ccccc5nc34)c2)cc(-n2c3ccccc3n3c4ccccc4nc23)c1.
What is the InChIKey of 5-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is GXAHCAMXNAVAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N7O/c1-5-20-41-37(16-1)38-17-2-6-21-42(38)53(41)33-28-34(55-46-25-10-12-27-48(46)57-44-23-8-4-19-40(44)52-50(55)57)31-36(30-33)58-35-15-13-14-32(29-35)54-45-24-9-11-26-47(45)56-43-22-7-3-18-39(43)51-49(54)56/h1-31H.
What are the key properties of 5-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole?
5-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 745.85 g/mol, XLogP of 12.07, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 169289282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).