5-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrido[4,3-b]indol-7-yl]benzimidazolo[1,2-a]benzimidazole

C43H26N8 — CID 169077352

IUPAC5-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrido[4,3-b]indol-7-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1cc(-n2c3ccncc3c3ccc(-n4c5ccccc5n5c6ccccc6nc45)cc32)cc(-n2c3ccccc3n3c4ccccc4nc23)c1
InChIInChI=1S/C43H26N8/c1-3-14-35-32(12-1)45-42-48(37-16-5-7-18-39(37)50(35)42)28-11-9-10-27(24-28)47-34-22-23-44-26-31(34)30-21-20-29(25-41(30)47)49-38-17-6-8-19-40(38)51-36-15-4-2-13-33(36)46-43(49)51/h1-26H
InChIKeyPQBVXAQWTXCLNI-UHFFFAOYSA-N
MW654.74 g/mol
LogP9.67
Rot. Bonds3

About 5-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrido[4,3-b]indol-7-yl]benzimidazolo[1,2-a]benzimidazole

5-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrido[4,3-b]indol-7-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 169077352) has the molecular formula C43H26N8 and a molecular weight of 654.74 g/mol. Its IUPAC name is 5-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrido[4,3-b]indol-7-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrido[4,3-b]indol-7-yl]benzimidazolo[1,2-a]benzimidazole
PubChem CID169077352
Molecular FormulaC43H26N8
Molecular Weight654.74 g/mol
Exact Mass654.23
IUPAC Name5-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrido[4,3-b]indol-7-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1cc(-n2c3ccncc3c3ccc(-n4c5ccccc5n5c6ccccc6nc45)cc32)cc(-n2c3ccccc3n3c4ccccc4nc23)c1
InChIInChI=1S/C43H26N8/c1-3-14-35-32(12-1)45-42-48(37-16-5-7-18-39(37)50(35)42)28-11-9-10-27(24-28)47-34-22-23-44-26-31(34)30-21-20-29(25-41(30)47)49-38-17-6-8-19-40(38)51-36-15-4-2-13-33(36)46-43(49)51/h1-26H
InChIKeyPQBVXAQWTXCLNI-UHFFFAOYSA-N
XLogP9.67
TPSA62.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.74
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 169077493
5-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 169289282
[3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 171405556
5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 169077515
[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462949
bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462912
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
5-[9-(9,9'-spirobi[xanthene]-2-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 170785662
5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole
CID 118429566

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrido[4,3-b]indol-7-yl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 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) is 5-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrido[4,3-b]indol-7-yl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrido[4,3-b]indol-7-yl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrido[4,3-b]indol-7-yl]benzimidazolo[1,2-a]benzimidazole is c1cc(-n2c3ccncc3c3ccc(-n4c5ccccc5n5c6ccccc6nc45)cc32)cc(-n2c3ccccc3n3c4ccccc4nc23)c1.
What is the InChIKey of 5-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrido[4,3-b]indol-7-yl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is PQBVXAQWTXCLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N8/c1-3-14-35-32(12-1)45-42-48(37-16-5-7-18-39(37)50(35)42)28-11-9-10-27(24-28)47-34-22-23-44-26-31(34)30-21-20-29(25-41(30)47)49-38-17-6-8-19-40(38)51-36-15-4-2-13-33(36)46-43(49)51/h1-26H.
What are the key properties of 5-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrido[4,3-b]indol-7-yl]benzimidazolo[1,2-a]benzimidazole?
5-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrido[4,3-b]indol-7-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 654.74 g/mol, XLogP of 9.67, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrido[4,3-b]indol-7-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 169077352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).