5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole

C43H28N4O — CID 146532365

IUPAC5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
SMILESC1=Cc2c(c3ccccc3n2-c2ccc3oc4ccc(-c5cccc(-n6c7ccccc7n7c8ccccc8nc67)c5)cc4c3c2)CC1
InChIInChI=1S/C43H28N4O/c1-4-15-36-31(12-1)32-13-2-5-16-37(32)45(36)30-21-23-42-34(26-30)33-25-28(20-22-41(33)48-42)27-10-9-11-29(24-27)46-39-18-7-8-19-40(39)47-38-17-6-3-14-35(38)44-43(46)47/h1,3-12,14-26H,2,13H2
InChIKeyUVSUKUTXPAXUHL-UHFFFAOYSA-N
MW616.72 g/mol
LogP10.90
Rot. Bonds3

About 5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole

5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 146532365) has the molecular formula C43H28N4O and a molecular weight of 616.72 g/mol. Its IUPAC name is 5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
PubChem CID146532365
Molecular FormulaC43H28N4O
Molecular Weight616.72 g/mol
Exact Mass616.23
IUPAC Name5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
SMILESC1=Cc2c(c3ccccc3n2-c2ccc3oc4ccc(-c5cccc(-n6c7ccccc7n7c8ccccc8nc67)c5)cc4c3c2)CC1
InChIInChI=1S/C43H28N4O/c1-4-15-36-31(12-1)32-13-2-5-16-37(32)45(36)30-21-23-42-34(26-30)33-25-28(20-22-41(33)48-42)27-10-9-11-29(24-27)46-39-18-7-8-19-40(39)47-38-17-6-3-14-35(38)44-43(46)47/h1,3-12,14-26H,2,13H2
InChIKeyUVSUKUTXPAXUHL-UHFFFAOYSA-N
XLogP10.90
TPSA40.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.72
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[8-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 88958893
9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole
CID 174291367
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
2-dibenzofuran-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 138463178
10-(3,4-dihydrocarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 155393923
9-[3-(1,3,5-triazin-2-yl)phenyl]-3,4-dihydrocarbazole
CID 175358566
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
5-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
CID 135248630
5-[8-(9-phenyl-9H-fluoren-3-yl)dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 121445257
N-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline
CID 146356785
2-[3-[8-[3-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-2-methyl-2H-benzimidazol-1-yl]aniline
CID 163629359
9-[9-[9-[4-(3,4-dihydrocarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 174283920

Frequently Asked Questions

What is the IUPAC name of 5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole (CID 146532365) is 5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole is C1=Cc2c(c3ccccc3n2-c2ccc3oc4ccc(-c5cccc(-n6c7ccccc7n7c8ccccc8nc67)c5)cc4c3c2)CC1.
What is the InChIKey of 5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is UVSUKUTXPAXUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N4O/c1-4-15-36-31(12-1)32-13-2-5-16-37(32)45(36)30-21-23-42-34(26-30)33-25-28(20-22-41(33)48-42)27-10-9-11-29(24-27)46-39-18-7-8-19-40(39)47-38-17-6-3-14-35(38)44-43(46)47/h1,3-12,14-26H,2,13H2.
What are the key properties of 5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 616.72 g/mol, XLogP of 10.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 146532365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).