3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(2,3-dihydroindol-1-yl)-5-(3H-indol-2-yl)-6-(2H-isoindol-1-yl)quinoline

C49H32N4OS — CID 141304959

IUPAC3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(2,3-dihydroindol-1-yl)-5-(3H-indol-2-yl)-6-(2H-isoindol-1-yl)quinoline
SMILESc1ccc2c(c1)CC(c1c(-c3[nH]cc4ccccc34)ccc3nc(-c4cc5ccccc5s4)c(-c4cc5ccccc5o4)c(N4CCc5ccccc54)c13)=N2
InChIInChI=1S/C49H32N4OS/c1-6-16-34-33(15-1)28-50-47(34)35-21-22-37-45(44(35)38-25-30-12-2-7-17-36(30)51-38)49(53-24-23-29-11-3-8-18-39(29)53)46(41-26-31-13-4-9-19-40(31)54-41)48(52-37)43-27-32-14-5-10-20-42(32)55-43/h1-22,26-28,50H,23-25H2
InChIKeyQNYSSQRNUSFLNO-UHFFFAOYSA-N
MW724.89 g/mol
LogP13.05
Rot. Bonds5

About 3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(2,3-dihydroindol-1-yl)-5-(3H-indol-2-yl)-6-(2H-isoindol-1-yl)quinoline

3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(2,3-dihydroindol-1-yl)-5-(3H-indol-2-yl)-6-(2H-isoindol-1-yl)quinoline (PubChem CID 141304959) has the molecular formula C49H32N4OS and a molecular weight of 724.89 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(2,3-dihydroindol-1-yl)-5-(3H-indol-2-yl)-6-(2H-isoindol-1-yl)quinoline.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(2,3-dihydroindol-1-yl)-5-(3H-indol-2-yl)-6-(2H-isoindol-1-yl)quinoline
PubChem CID141304959
Molecular FormulaC49H32N4OS
Molecular Weight724.89 g/mol
Exact Mass724.23
IUPAC Name3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(2,3-dihydroindol-1-yl)-5-(3H-indol-2-yl)-6-(2H-isoindol-1-yl)quinoline
SMILESc1ccc2c(c1)CC(c1c(-c3[nH]cc4ccccc34)ccc3nc(-c4cc5ccccc5s4)c(-c4cc5ccccc5o4)c(N4CCc5ccccc54)c13)=N2
InChIInChI=1S/C49H32N4OS/c1-6-16-34-33(15-1)28-50-47(34)35-21-22-37-45(44(35)38-25-30-12-2-7-17-36(30)51-38)49(53-24-23-29-11-3-8-18-39(29)53)46(41-26-31-13-4-9-19-40(31)54-41)48(52-37)43-27-32-14-5-10-20-42(32)55-43/h1-22,26-28,50H,23-25H2
InChIKeyQNYSSQRNUSFLNO-UHFFFAOYSA-N
XLogP13.05
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.89
LogP ≤ 513.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(2,3-dihydroindol-1-yl)-5-(3H-indol-2-yl)-6-(2H-isoindol-1-yl)quinoline with MolForge

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Related Compounds

N-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)-5-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-fluorophenyl)isoquinolin-6-amine
CID 122666307
N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-(1-phenylpyridin-1-ium-4-yl)carbazol-3-amine
CID 155617606
N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-(1-phenylpyridin-1-ium-4-yl)carbazol-3-amine
CID 155617616
5-(1H-inden-2-yl)-2-[6-(3-phenylphenyl)-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-(4-phenyl-2-pyridinyl)-9-(trifluoromethyl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-pyridin-2-yl-10-pyrrol-1-yl-[1]benzofuro[3,2-c]carbazole
CID 157966969
2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;trihydrochloride
CID 160348180
2-[3-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-7-(1H-inden-1-yl)-4-(1H-indol-2-yl)quinolin-6-yl]-1,3-oxazole
CID 53651180
8-[8-(8-Phenyldibenzothiophen-2-yl)dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544120
9-[8-(2-Pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)dibenzothiophen-2-yl]carbazole
CID 57958268
9-Dibenzothiophen-2-yl-3-(8-pyridin-2-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole
CID 57958319
5-[8-[3-(8-Pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole
CID 57958322
8-[3-[6-[6-[6-[3-(4,8,12-Triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-4-yl]dibenzothiophen-4-yl]dibenzofuran-4-yl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58059133
9-Phenyl-3-(2-pyridin-2-ylphenyl)-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole
CID 58059180

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(2,3-dihydroindol-1-yl)-5-(3H-indol-2-yl)-6-(2H-isoindol-1-yl)quinoline?
The IUPAC name of 3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(2,3-dihydroindol-1-yl)-5-(3H-indol-2-yl)-6-(2H-isoindol-1-yl)quinoline (CID 141304959) is 3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(2,3-dihydroindol-1-yl)-5-(3H-indol-2-yl)-6-(2H-isoindol-1-yl)quinoline.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(2,3-dihydroindol-1-yl)-5-(3H-indol-2-yl)-6-(2H-isoindol-1-yl)quinoline?
The canonical SMILES for 3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(2,3-dihydroindol-1-yl)-5-(3H-indol-2-yl)-6-(2H-isoindol-1-yl)quinoline is c1ccc2c(c1)CC(c1c(-c3[nH]cc4ccccc34)ccc3nc(-c4cc5ccccc5s4)c(-c4cc5ccccc5o4)c(N4CCc5ccccc54)c13)=N2.
What is the InChIKey of 3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(2,3-dihydroindol-1-yl)-5-(3H-indol-2-yl)-6-(2H-isoindol-1-yl)quinoline?
The InChIKey is QNYSSQRNUSFLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4OS/c1-6-16-34-33(15-1)28-50-47(34)35-21-22-37-45(44(35)38-25-30-12-2-7-17-36(30)51-38)49(53-24-23-29-11-3-8-18-39(29)53)46(41-26-31-13-4-9-19-40(31)54-41)48(52-37)43-27-32-14-5-10-20-42(32)55-43/h1-22,26-28,50H,23-25H2.
What are the key properties of 3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(2,3-dihydroindol-1-yl)-5-(3H-indol-2-yl)-6-(2H-isoindol-1-yl)quinoline?
3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(2,3-dihydroindol-1-yl)-5-(3H-indol-2-yl)-6-(2H-isoindol-1-yl)quinoline has a molecular weight of 724.89 g/mol, XLogP of 13.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(2,3-dihydroindol-1-yl)-5-(3H-indol-2-yl)-6-(2H-isoindol-1-yl)quinoline is sourced from PubChem (CID 141304959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).