5-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole

C36H23N5 — CID 140932542

IUPAC5-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)n2)cc(-n2c3ccccc3n3c4ccccc4nc23)c1
InChIInChI=1S/C36H23N5/c1-4-17-30-26(13-1)27-14-2-5-18-31(27)40(30)35-22-10-16-28(37-35)24-11-9-12-25(23-24)39-33-20-7-8-21-34(33)41-32-19-6-3-15-29(32)38-36(39)41/h1-23H
InChIKeyHDYNUDRCXUMWAJ-UHFFFAOYSA-N
MW525.62 g/mol
LogP8.59
Rot. Bonds3

About 5-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole

5-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 140932542) has the molecular formula C36H23N5 and a molecular weight of 525.62 g/mol. Its IUPAC name is 5-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole
PubChem CID140932542
Molecular FormulaC36H23N5
Molecular Weight525.62 g/mol
Exact Mass525.20
IUPAC Name5-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)n2)cc(-n2c3ccccc3n3c4ccccc4nc23)c1
InChIInChI=1S/C36H23N5/c1-4-17-30-26(13-1)27-14-2-5-18-31(27)40(30)35-22-10-16-28(37-35)24-11-9-12-25(23-24)39-33-20-7-8-21-34(33)41-32-19-6-3-15-29(32)38-36(39)41/h1-23H
InChIKeyHDYNUDRCXUMWAJ-UHFFFAOYSA-N
XLogP8.59
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.62
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole
CID 158139061
5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 169077515
5-(6-carbazol-9-yl-4-pyridin-4-yl-2-pyridinyl)benzimidazolo[1,2-a]benzimidazole
CID 170420670
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
5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole
CID 58570039
5-phenyl-11-(6-phenyl-2-pyridinyl)indolo[3,2-b]carbazole
CID 58570053
9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;9-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]carbazole;9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole;tetradeca-1,3,5,7,9,11,13-heptayne
CID 164998380
2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-[3-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-phenyl-2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;9-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 159288172
2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenol
CID 121420257
12-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 58570101
5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole
CID 58038356

Frequently Asked Questions

What is the IUPAC name of 5-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole (CID 140932542) is 5-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole is c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)n2)cc(-n2c3ccccc3n3c4ccccc4nc23)c1.
What is the InChIKey of 5-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is HDYNUDRCXUMWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N5/c1-4-17-30-26(13-1)27-14-2-5-18-31(27)40(30)35-22-10-16-28(37-35)24-11-9-12-25(23-24)39-33-20-7-8-21-34(33)41-32-19-6-3-15-29(32)38-36(39)41/h1-23H.
What are the key properties of 5-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole?
5-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 525.62 g/mol, XLogP of 8.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 140932542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).