2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole

C32H21N3 — CID 157068240

IUPAC2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-n2c3ccc(-c4cccc5c4Cc4ccccc4-5)cc3n3c4ccccc4nc23)cc1
InChIInChI=1S/C32H21N3/c1-2-10-23(11-3-1)34-30-18-17-22(20-31(30)35-29-16-7-6-15-28(29)33-32(34)35)25-13-8-14-26-24-12-5-4-9-21(24)19-27(25)26/h1-18,20H,19H2
InChIKeyBQMMLCAWEBVSRH-UHFFFAOYSA-N
MW447.54 g/mol
LogP7.67
Rot. Bonds2

About 2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole

2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole (PubChem CID 157068240) has the molecular formula C32H21N3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole
PubChem CID157068240
Molecular FormulaC32H21N3
Molecular Weight447.54 g/mol
Exact Mass447.17
IUPAC Name2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-n2c3ccc(-c4cccc5c4Cc4ccccc4-5)cc3n3c4ccccc4nc23)cc1
InChIInChI=1S/C32H21N3/c1-2-10-23(11-3-1)34-30-18-17-22(20-31(30)35-29-16-7-6-15-28(29)33-32(34)35)25-13-8-14-26-24-12-5-4-9-21(24)19-27(25)26/h1-18,20H,19H2
InChIKeyBQMMLCAWEBVSRH-UHFFFAOYSA-N
XLogP7.67
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989
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
5-(2-phenylpyrimidin-5-yl)-2-[5-(2-phenylpyrimidin-5-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140948081
4-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 162484018
5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
3-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-6-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;4-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-6-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;5-phenyl-1-(6-phenylbenzimidazolo[1,2-a]benzimidazol-1-yl)benzimidazolo[1,2-a]benzimidazole;6-phenyl-1-(6-phenylbenzimidazolo[1,2-a]benzimidazol-1-yl)benzimidazolo[1,2-a]benzimidazole;6-phenyl-1-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;6-phenyl-4-(6-phenylbenzimidazolo[1,2-a]benzimidazol-4-yl)benzimidazolo[1,2-a]benzimidazole
CID 158744801
N-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155430382
9,13-diphenyl-16-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
CID 154646730
1-N,3-N-diphenyl-5-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 139482169
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 138463102
N,5-bis(4-phenylphenyl)-N-[5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazol-2-amine
CID 139482162

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole (CID 157068240) is 2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole is c1ccc(-n2c3ccc(-c4cccc5c4Cc4ccccc4-5)cc3n3c4ccccc4nc23)cc1.
What is the InChIKey of 2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole?
The InChIKey is BQMMLCAWEBVSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3/c1-2-10-23(11-3-1)34-30-18-17-22(20-31(30)35-29-16-7-6-15-28(29)33-32(34)35)25-13-8-14-26-24-12-5-4-9-21(24)19-27(25)26/h1-18,20H,19H2.
What are the key properties of 2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole?
2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole has a molecular weight of 447.54 g/mol, XLogP of 7.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 157068240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).