11-phenyl-11-quinolin-6-ylisoindolo[2,1-a]benzimidazole

C29H19N3 — CID 163769246

IUPAC11-phenyl-11-quinolin-6-ylisoindolo[2,1-a]benzimidazole
SMILESc1ccc(C2(c3ccc4ncccc4c3)c3ccccc3-c3nc4ccccc4n32)cc1
InChIInChI=1S/C29H19N3/c1-2-10-21(11-3-1)29(22-16-17-25-20(19-22)9-8-18-30-25)24-13-5-4-12-23(24)28-31-26-14-6-7-15-27(26)32(28)29/h1-19H
InChIKeyMEZRPBKVFRLRIY-UHFFFAOYSA-N
MW409.49 g/mol
LogP6.41
Rot. Bonds2

About 11-phenyl-11-quinolin-6-ylisoindolo[2,1-a]benzimidazole

11-phenyl-11-quinolin-6-ylisoindolo[2,1-a]benzimidazole (PubChem CID 163769246) has the molecular formula C29H19N3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 11-phenyl-11-quinolin-6-ylisoindolo[2,1-a]benzimidazole.

Molecular Properties

Compound Name11-phenyl-11-quinolin-6-ylisoindolo[2,1-a]benzimidazole
PubChem CID163769246
Molecular FormulaC29H19N3
Molecular Weight409.49 g/mol
Exact Mass409.16
IUPAC Name11-phenyl-11-quinolin-6-ylisoindolo[2,1-a]benzimidazole
SMILESc1ccc(C2(c3ccc4ncccc4c3)c3ccccc3-c3nc4ccccc4n32)cc1
InChIInChI=1S/C29H19N3/c1-2-10-21(11-3-1)29(22-16-17-25-20(19-22)9-8-18-30-25)24-13-5-4-12-23(24)28-31-26-14-6-7-15-27(26)32(28)29/h1-19H
InChIKeyMEZRPBKVFRLRIY-UHFFFAOYSA-N
XLogP6.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(1-methylbenzimidazol-2-yl)-6-[9-[8-(1-methylbenzimidazol-2-yl)quinolin-6-yl]fluoren-9-yl]quinoline
CID 153429211
6-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]quinoline
CID 151110061
6-[3-methyl-5-(1-phenylbenzimidazol-2-yl)phenyl]quinoline
CID 144553961
quinoline;hydrochloride;hydroiodide
CID 161378453
nickel(2+);quinoline;diiodide
CID 162206226
9,9-dimethylfluorene;ethane;quinoline
CID 159714824
quinoline
CID 76974643
5-[9,9-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]quinoline
CID 142453647
8-(1-phenylbenzimidazol-2-yl)quinoline
CID 23527786
17,17,18-trimethyl-9,16-diazaheptacyclo[16.10.1.02,7.08,16.010,15.019,24.025,29]nonacosa-1(29),2,4,6,8,10,12,14,19,21,23,25,27-tridecaene
CID 164734267
osmium(2+);quinoline
CID 158407120
quinoline;silver
CID 88761492

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-11-quinolin-6-ylisoindolo[2,1-a]benzimidazole?
The IUPAC name of 11-phenyl-11-quinolin-6-ylisoindolo[2,1-a]benzimidazole (CID 163769246) is 11-phenyl-11-quinolin-6-ylisoindolo[2,1-a]benzimidazole.
What is the SMILES notation for 11-phenyl-11-quinolin-6-ylisoindolo[2,1-a]benzimidazole?
The canonical SMILES for 11-phenyl-11-quinolin-6-ylisoindolo[2,1-a]benzimidazole is c1ccc(C2(c3ccc4ncccc4c3)c3ccccc3-c3nc4ccccc4n32)cc1.
What is the InChIKey of 11-phenyl-11-quinolin-6-ylisoindolo[2,1-a]benzimidazole?
The InChIKey is MEZRPBKVFRLRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3/c1-2-10-21(11-3-1)29(22-16-17-25-20(19-22)9-8-18-30-25)24-13-5-4-12-23(24)28-31-26-14-6-7-15-27(26)32(28)29/h1-19H.
What are the key properties of 11-phenyl-11-quinolin-6-ylisoindolo[2,1-a]benzimidazole?
11-phenyl-11-quinolin-6-ylisoindolo[2,1-a]benzimidazole has a molecular weight of 409.49 g/mol, XLogP of 6.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-11-quinolin-6-ylisoindolo[2,1-a]benzimidazole is sourced from PubChem (CID 163769246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).