2-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-6-(1H-indazol-3-yl)-4-(1H-indol-2-yl)dibenzofuran-3-yl]quinoline

C51H30N6O2 — CID 141179424

IUPAC2-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-6-(1H-indazol-3-yl)-4-(1H-indol-2-yl)dibenzofuran-3-yl]quinoline
SMILESc1ccc2nc(-c3c(-c4nc5ccccc5[nH]4)c(-c4cc5ccccc5o4)c4c(oc5c(-c6n[nH]c7ccccc67)cccc54)c3-c3cc4ccccc4[nH]3)ccc2c1
InChIInChI=1S/C51H30N6O2/c1-5-18-34-28(12-1)24-25-39(52-34)44-45(40-26-29-13-2-6-19-35(29)53-40)50-43(32-16-11-17-33(49(32)59-50)48-31-15-4-7-20-36(31)56-57-48)46(42-27-30-14-3-10-23-41(30)58-42)47(44)51-54-37-21-8-9-22-38(37)55-51/h1-27,53H,(H,54,55)(H,56,57)
InChIKeyXMNFDSXFCNVGAZ-UHFFFAOYSA-N
MW758.84 g/mol
LogP13.45
Rot. Bonds5

About 2-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-6-(1H-indazol-3-yl)-4-(1H-indol-2-yl)dibenzofuran-3-yl]quinoline

2-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-6-(1H-indazol-3-yl)-4-(1H-indol-2-yl)dibenzofuran-3-yl]quinoline (PubChem CID 141179424) has the molecular formula C51H30N6O2 and a molecular weight of 758.84 g/mol. Its IUPAC name is 2-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-6-(1H-indazol-3-yl)-4-(1H-indol-2-yl)dibenzofuran-3-yl]quinoline.

Molecular Properties

Compound Name2-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-6-(1H-indazol-3-yl)-4-(1H-indol-2-yl)dibenzofuran-3-yl]quinoline
PubChem CID141179424
Molecular FormulaC51H30N6O2
Molecular Weight758.84 g/mol
Exact Mass758.24
IUPAC Name2-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-6-(1H-indazol-3-yl)-4-(1H-indol-2-yl)dibenzofuran-3-yl]quinoline
SMILESc1ccc2nc(-c3c(-c4nc5ccccc5[nH]4)c(-c4cc5ccccc5o4)c4c(oc5c(-c6n[nH]c7ccccc67)cccc54)c3-c3cc4ccccc4[nH]3)ccc2c1
InChIInChI=1S/C51H30N6O2/c1-5-18-34-28(12-1)24-25-39(52-34)44-45(40-26-29-13-2-6-19-35(29)53-40)50-43(32-16-11-17-33(49(32)59-50)48-31-15-4-7-20-36(31)56-57-48)46(42-27-30-14-3-10-23-41(30)58-42)47(44)51-54-37-21-8-9-22-38(37)55-51/h1-27,53H,(H,54,55)(H,56,57)
InChIKeyXMNFDSXFCNVGAZ-UHFFFAOYSA-N
XLogP13.45
TPSA112.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.84
LogP ≤ 513.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-Phenyl-1-[19-(2-phenylbenzimidazol-1-yl)-5,15-dioxaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-1(28),2(14),3,6,8,10,12,16,18,20,22,24,26-tridecaen-26-yl]benzimidazole
CID 57913969
7-[3-(2,3-dihydro-1-benzofuran-2-yl)-1-benzofuran-2-yl]-6-(2,3-dihydro-1H-isoindol-1-yl)-4-(1H-indazol-3-yl)-5-(1H-indol-2-yl)-1H-benzimidazole
CID 91806154
3-Phenyl-29-[4-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]-3,17,29-triazaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.016,24.018,23]nonacosa-1(28),2(10),4,6,8,11,13,15,18,20,22,24,26-tridecaene
CID 130382016
3-(11H-indolo[2,3-a]carbazol-12-yl)-1-phenyl-[1]benzofuro[3,2-f]quinazoline
CID 132269787
4-[7-(1H-benzimidazol-2-yl)-6-dibenzofuran-1-yl-5-(furan-2-yl)-3-(1H-indol-2-yl)-2H-isoindol-1-yl]-1H-benzotriazole
CID 141113478
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
1-[2-(1H-benzimidazol-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrazol-3-yl)-4-quinolin-2-yl-1-benzofuran-3-yl]isoquinoline
CID 141124483
2-[1-(1-benzofuran-2-yl)-3-(1H-indol-2-yl)-4-pyridazin-3-yl-7-pyridin-2-yl-6-pyrimidin-2-yldibenzofuran-2-yl]quinoline
CID 141179419
6-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-4-(1-methylindol-5-yl)dibenzofuran-3-yl]quinoline
CID 141179420
3-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-1-(1H-indazol-3-yl)-6-(1H-indol-2-yl)indolizin-2-yl]cinnoline
CID 141223359
2-[2-(1-benzofuran-2-yl)-2-(2H-indazol-3-yl)-3-(1H-indol-2-yl)-4-pyrazin-2-yl-1-benzofuran-3-yl]-1H-benzimidazole
CID 141337832
2-[6-[(3Z,5Z,7Z)-azocin-2-yl]-2-(1H-benzimidazol-2-yl)-3,4-bis(1-benzofuran-2-yl)phenyl]-1H-benzo[g]indole
CID 141352511

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-6-(1H-indazol-3-yl)-4-(1H-indol-2-yl)dibenzofuran-3-yl]quinoline?
The IUPAC name of 2-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-6-(1H-indazol-3-yl)-4-(1H-indol-2-yl)dibenzofuran-3-yl]quinoline (CID 141179424) is 2-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-6-(1H-indazol-3-yl)-4-(1H-indol-2-yl)dibenzofuran-3-yl]quinoline.
What is the SMILES notation for 2-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-6-(1H-indazol-3-yl)-4-(1H-indol-2-yl)dibenzofuran-3-yl]quinoline?
The canonical SMILES for 2-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-6-(1H-indazol-3-yl)-4-(1H-indol-2-yl)dibenzofuran-3-yl]quinoline is c1ccc2nc(-c3c(-c4nc5ccccc5[nH]4)c(-c4cc5ccccc5o4)c4c(oc5c(-c6n[nH]c7ccccc67)cccc54)c3-c3cc4ccccc4[nH]3)ccc2c1.
What is the InChIKey of 2-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-6-(1H-indazol-3-yl)-4-(1H-indol-2-yl)dibenzofuran-3-yl]quinoline?
The InChIKey is XMNFDSXFCNVGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N6O2/c1-5-18-34-28(12-1)24-25-39(52-34)44-45(40-26-29-13-2-6-19-35(29)53-40)50-43(32-16-11-17-33(49(32)59-50)48-31-15-4-7-20-36(31)56-57-48)46(42-27-30-14-3-10-23-41(30)58-42)47(44)51-54-37-21-8-9-22-38(37)55-51/h1-27,53H,(H,54,55)(H,56,57).
What are the key properties of 2-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-6-(1H-indazol-3-yl)-4-(1H-indol-2-yl)dibenzofuran-3-yl]quinoline?
2-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-6-(1H-indazol-3-yl)-4-(1H-indol-2-yl)dibenzofuran-3-yl]quinoline has a molecular weight of 758.84 g/mol, XLogP of 13.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-6-(1H-indazol-3-yl)-4-(1H-indol-2-yl)dibenzofuran-3-yl]quinoline is sourced from PubChem (CID 141179424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).