4-[6-(1H-benzimidazol-2-yl)-7-dibenzofuran-1-yl-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-1H-indazol-5-yl]-1H-benzotriazole

C48H29N9O — CID 141113485

IUPAC4-[6-(1H-benzimidazol-2-yl)-7-dibenzofuran-1-yl-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-1H-indazol-5-yl]-1H-benzotriazole
SMILESc1ccc2[nH]c(-c3c(-c4cccc5[nH]nnc45)c(-c4nc5ccccc5[nH]4)c(-c4cccc5oc6ccccc6c45)c4[nH]nc(-c5[nH]cc6ccccc56)c34)cc2c1
InChIInChI=1S/C48H29N9O/c1-3-13-27-26(12-1)24-49-45(27)47-43-41(35-23-25-11-2-5-17-31(25)50-35)39(30-16-9-20-34-44(30)56-57-53-34)42(48-51-32-18-6-7-19-33(32)52-48)40(46(43)54-55-47)29-15-10-22-37-38(29)28-14-4-8-21-36(28)58-37/h1-24,49-50H,(H,51,52)(H,54,55)(H,53,56,57)
InChIKeyUWESGGNZQOUWFV-UHFFFAOYSA-N
MW747.82 g/mol
LogP11.91
Rot. Bonds5

About 4-[6-(1H-benzimidazol-2-yl)-7-dibenzofuran-1-yl-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-1H-indazol-5-yl]-1H-benzotriazole

4-[6-(1H-benzimidazol-2-yl)-7-dibenzofuran-1-yl-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-1H-indazol-5-yl]-1H-benzotriazole (PubChem CID 141113485) has the molecular formula C48H29N9O and a molecular weight of 747.82 g/mol. Its IUPAC name is 4-[6-(1H-benzimidazol-2-yl)-7-dibenzofuran-1-yl-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-1H-indazol-5-yl]-1H-benzotriazole.

Molecular Properties

Compound Name4-[6-(1H-benzimidazol-2-yl)-7-dibenzofuran-1-yl-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-1H-indazol-5-yl]-1H-benzotriazole
PubChem CID141113485
Molecular FormulaC48H29N9O
Molecular Weight747.82 g/mol
Exact Mass747.25
IUPAC Name4-[6-(1H-benzimidazol-2-yl)-7-dibenzofuran-1-yl-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-1H-indazol-5-yl]-1H-benzotriazole
SMILESc1ccc2[nH]c(-c3c(-c4cccc5[nH]nnc45)c(-c4nc5ccccc5[nH]4)c(-c4cccc5oc6ccccc6c45)c4[nH]nc(-c5[nH]cc6ccccc56)c34)cc2c1
InChIInChI=1S/C48H29N9O/c1-3-13-27-26(12-1)24-49-45(27)47-43-41(35-23-25-11-2-5-17-31(25)50-35)39(30-16-9-20-34-44(30)56-57-53-34)42(48-51-32-18-6-7-19-33(32)52-48)40(46(43)54-55-47)29-15-10-22-37-38(29)28-14-4-8-21-36(28)58-37/h1-24,49-50H,(H,51,52)(H,54,55)(H,53,56,57)
InChIKeyUWESGGNZQOUWFV-UHFFFAOYSA-N
XLogP11.91
TPSA143.65 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.82
LogP ≤ 511.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 4-[6-(1H-benzimidazol-2-yl)-7-dibenzofuran-1-yl-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-1H-indazol-5-yl]-1H-benzotriazole with MolForge

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Related Compounds

1-(1H-indol-2-yl)xanthen-9-one
CID 134824217
2-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-1,3-benzothiazole
CID 141189608
2-[5-(1H-indol-3-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
CID 2373893
7-(1H-benzimidazol-2-yl)-6-(1H-benzotriazol-4-yl)-2-isoquinolin-1-yl-4-(7H-purin-2-yl)-3-quinolin-2-yl-1,5-naphthyridine
CID 141329829
2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-ylphenyl]-1H-benzimidazole
CID 141050991
2-[1-(1H-benzimidazol-2-yl)perylen-2-yl]-1H-benzimidazole
CID 23367558
4-[2-(1-benzothiophen-2-yl)-4-(furan-2-yl)-6-(1H-indol-2-yl)-3-thiophen-2-yl-1-benzofuran-5-yl]-1H-benzotriazole
CID 141105122
1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]phenyl]-9H-carbazole
CID 166134655
2-[3-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)quinolin-2-yl]-1,3-benzothiazole
CID 141050959
4-dibenzofuran-1-yl-2-phenylquinoline
CID 146337940
2-[3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
CID 2343559
2-phenanthren-9-yl-1H-benzimidazole
CID 102492769

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1H-benzimidazol-2-yl)-7-dibenzofuran-1-yl-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-1H-indazol-5-yl]-1H-benzotriazole?
The IUPAC name of 4-[6-(1H-benzimidazol-2-yl)-7-dibenzofuran-1-yl-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-1H-indazol-5-yl]-1H-benzotriazole (CID 141113485) is 4-[6-(1H-benzimidazol-2-yl)-7-dibenzofuran-1-yl-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-1H-indazol-5-yl]-1H-benzotriazole.
What is the SMILES notation for 4-[6-(1H-benzimidazol-2-yl)-7-dibenzofuran-1-yl-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-1H-indazol-5-yl]-1H-benzotriazole?
The canonical SMILES for 4-[6-(1H-benzimidazol-2-yl)-7-dibenzofuran-1-yl-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-1H-indazol-5-yl]-1H-benzotriazole is c1ccc2[nH]c(-c3c(-c4cccc5[nH]nnc45)c(-c4nc5ccccc5[nH]4)c(-c4cccc5oc6ccccc6c45)c4[nH]nc(-c5[nH]cc6ccccc56)c34)cc2c1.
What is the InChIKey of 4-[6-(1H-benzimidazol-2-yl)-7-dibenzofuran-1-yl-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-1H-indazol-5-yl]-1H-benzotriazole?
The InChIKey is UWESGGNZQOUWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N9O/c1-3-13-27-26(12-1)24-49-45(27)47-43-41(35-23-25-11-2-5-17-31(25)50-35)39(30-16-9-20-34-44(30)56-57-53-34)42(48-51-32-18-6-7-19-33(32)52-48)40(46(43)54-55-47)29-15-10-22-37-38(29)28-14-4-8-21-36(28)58-37/h1-24,49-50H,(H,51,52)(H,54,55)(H,53,56,57).
What are the key properties of 4-[6-(1H-benzimidazol-2-yl)-7-dibenzofuran-1-yl-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-1H-indazol-5-yl]-1H-benzotriazole?
4-[6-(1H-benzimidazol-2-yl)-7-dibenzofuran-1-yl-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-1H-indazol-5-yl]-1H-benzotriazole has a molecular weight of 747.82 g/mol, XLogP of 11.91, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1H-benzimidazol-2-yl)-7-dibenzofuran-1-yl-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-1H-indazol-5-yl]-1H-benzotriazole is sourced from PubChem (CID 141113485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).