5-[6-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole

C43H26N4O — CID 121420272

IUPAC5-[6-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4oc4cccc(-n6c7ccccc7n7c8ccccc8nc67)c45)ccc32)cc1
InChIInChI=1S/C43H26N4O/c1-2-12-28(13-3-1)45-34-18-6-4-14-30(34)32-26-27(24-25-35(32)45)29-15-10-16-31-41-39(22-11-23-40(41)48-42(29)31)47-38-21-9-8-20-37(38)46-36-19-7-5-17-33(36)44-43(46)47/h1-26H
InChIKeyGDSYLMQEJTVNAC-UHFFFAOYSA-N
MW614.71 g/mol
LogP11.09
Rot. Bonds3

About 5-[6-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole

5-[6-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 121420272) has the molecular formula C43H26N4O and a molecular weight of 614.71 g/mol. Its IUPAC name is 5-[6-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-[6-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole
PubChem CID121420272
Molecular FormulaC43H26N4O
Molecular Weight614.71 g/mol
Exact Mass614.21
IUPAC Name5-[6-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4oc4cccc(-n6c7ccccc7n7c8ccccc8nc67)c45)ccc32)cc1
InChIInChI=1S/C43H26N4O/c1-2-12-28(13-3-1)45-34-18-6-4-14-30(34)32-26-27(24-25-35(32)45)29-15-10-16-31-41-39(22-11-23-40(41)48-42(29)31)47-38-21-9-8-20-37(38)46-36-19-7-5-17-33(36)44-43(46)47/h1-26H
InChIKeyGDSYLMQEJTVNAC-UHFFFAOYSA-N
XLogP11.09
TPSA40.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.71
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole
CID 140923360
5-[8-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole;5-[8-[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole;5-[8-[9-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole
CID 159498435
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole
CID 121420268
4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole
CID 140923359
3-(9-chlorodibenzofuran-4-yl)-9-phenylcarbazole
CID 142624048
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 146300876
5-dibenzofuran-1-ylbenzimidazolo[1,2-a]benzimidazole
CID 121420234
9-phenyl-3-[6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
CID 163662188
3-dibenzofuran-4-yl-9-(2-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 177209647
9-phenyl-3-[6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
CID 148610640
17-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene;4-(9-dibenzofuran-2-ylcarbazol-3-yl)-17-phenyl-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;17-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-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 158372183
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775

Frequently Asked Questions

What is the IUPAC name of 5-[6-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-[6-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole (CID 121420272) is 5-[6-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-[6-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-[6-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4oc4cccc(-n6c7ccccc7n7c8ccccc8nc67)c45)ccc32)cc1.
What is the InChIKey of 5-[6-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is GDSYLMQEJTVNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4O/c1-2-12-28(13-3-1)45-34-18-6-4-14-30(34)32-26-27(24-25-35(32)45)29-15-10-16-31-41-39(22-11-23-40(41)48-42(29)31)47-38-21-9-8-20-37(38)46-36-19-7-5-17-33(36)44-43(46)47/h1-26H.
What are the key properties of 5-[6-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole?
5-[6-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 614.71 g/mol, XLogP of 11.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 121420272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).