5-(6-carbazol-9-yl-4-pyridin-4-yl-2-pyridinyl)benzimidazolo[1,2-a]benzimidazole

C35H22N6 — CID 170420670

IUPAC5-(6-carbazol-9-yl-4-pyridin-4-yl-2-pyridinyl)benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc2c(c1)nc1n(-c3cc(-c4ccncc4)cc(-n4c5ccccc5c5ccccc54)n3)c3ccccc3n21
InChIInChI=1S/C35H22N6/c1-4-12-28-25(9-1)26-10-2-5-13-29(26)39(28)33-21-24(23-17-19-36-20-18-23)22-34(38-33)41-32-16-8-7-15-31(32)40-30-14-6-3-11-27(30)37-35(40)41/h1-22H
InChIKeyOMFBTHPSWAHWNP-UHFFFAOYSA-N
MW526.60 g/mol
LogP7.99
Rot. Bonds3

About 5-(6-carbazol-9-yl-4-pyridin-4-yl-2-pyridinyl)benzimidazolo[1,2-a]benzimidazole

5-(6-carbazol-9-yl-4-pyridin-4-yl-2-pyridinyl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 170420670) has the molecular formula C35H22N6 and a molecular weight of 526.60 g/mol. Its IUPAC name is 5-(6-carbazol-9-yl-4-pyridin-4-yl-2-pyridinyl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-(6-carbazol-9-yl-4-pyridin-4-yl-2-pyridinyl)benzimidazolo[1,2-a]benzimidazole
PubChem CID170420670
Molecular FormulaC35H22N6
Molecular Weight526.60 g/mol
Exact Mass526.19
IUPAC Name5-(6-carbazol-9-yl-4-pyridin-4-yl-2-pyridinyl)benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc2c(c1)nc1n(-c3cc(-c4ccncc4)cc(-n4c5ccccc5c5ccccc54)n3)c3ccccc3n21
InChIInChI=1S/C35H22N6/c1-4-12-28-25(9-1)26-10-2-5-13-29(26)39(28)33-21-24(23-17-19-36-20-18-23)22-34(38-33)41-32-16-8-7-15-31(32)40-30-14-6-3-11-27(30)37-35(40)41/h1-22H
InChIKeyOMFBTHPSWAHWNP-UHFFFAOYSA-N
XLogP7.99
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 140932542
5-[2-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146626082
[4-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-yl-4-pyridinyl]phenyl]-dibenzothiophen-4-yl-diphenyl-λ4-sulfane
CID 156574223
5-[2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
CID 135248633
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-[4,6-di(dibenzofuran-4-yl)-2-pyridinyl]benzimidazolo[1,2-a]benzimidazole
CID 135248664
9-(4,6-dipyridin-4-yl-2-pyridinyl)-3-methylcarbazole;ethane
CID 144632040
11-(6-pyridin-4-yl-2-pyridinyl)-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene
CID 134169344
2-[6-[2-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylpyrimidin-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazol-4-yl]-6-[6-carbazol-9-yl-2-(2-carbazol-9-ylphenyl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
CID 146625799
20-[4,6-bis(3-phenylphenyl)-2-pyridinyl]-2,9,20-triazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.021,26]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),21,23,25-tridecaene
CID 90432646
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-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 169289282

Frequently Asked Questions

What is the IUPAC name of 5-(6-carbazol-9-yl-4-pyridin-4-yl-2-pyridinyl)benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-(6-carbazol-9-yl-4-pyridin-4-yl-2-pyridinyl)benzimidazolo[1,2-a]benzimidazole (CID 170420670) is 5-(6-carbazol-9-yl-4-pyridin-4-yl-2-pyridinyl)benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-(6-carbazol-9-yl-4-pyridin-4-yl-2-pyridinyl)benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-(6-carbazol-9-yl-4-pyridin-4-yl-2-pyridinyl)benzimidazolo[1,2-a]benzimidazole is c1ccc2c(c1)nc1n(-c3cc(-c4ccncc4)cc(-n4c5ccccc5c5ccccc54)n3)c3ccccc3n21.
What is the InChIKey of 5-(6-carbazol-9-yl-4-pyridin-4-yl-2-pyridinyl)benzimidazolo[1,2-a]benzimidazole?
The InChIKey is OMFBTHPSWAHWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N6/c1-4-12-28-25(9-1)26-10-2-5-13-29(26)39(28)33-21-24(23-17-19-36-20-18-23)22-34(38-33)41-32-16-8-7-15-31(32)40-30-14-6-3-11-27(30)37-35(40)41/h1-22H.
What are the key properties of 5-(6-carbazol-9-yl-4-pyridin-4-yl-2-pyridinyl)benzimidazolo[1,2-a]benzimidazole?
5-(6-carbazol-9-yl-4-pyridin-4-yl-2-pyridinyl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 526.60 g/mol, XLogP of 7.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-carbazol-9-yl-4-pyridin-4-yl-2-pyridinyl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 170420670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).