7-(2-benzofuran-1-yl)-3-(1H-indazol-3-yl)-4-indolizin-1-yl-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-2-isoquinolin-1-ylquinoline

C57H35N7O — CID 141084270

IUPAC7-(2-benzofuran-1-yl)-3-(1H-indazol-3-yl)-4-indolizin-1-yl-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-2-isoquinolin-1-ylquinoline
SMILESc1ccc2[nH]c(-c3c(-c4[nH]cc5ccccc45)c(-c4occ5ccccc45)cc4nc(-c5nccc6ccccc56)c(-c5n[nH]c6ccccc56)c(-c5ccn6ccccc56)c34)cc2c1
InChIInChI=1S/C57H35N7O/c1-5-17-37-33(13-1)24-26-58-55(37)56-52(54-40-20-8-10-22-44(40)62-63-54)48(41-25-28-64-27-12-11-23-47(41)64)50-46(61-56)30-42(57-39-19-7-3-16-36(39)32-65-57)49(53-38-18-6-2-15-35(38)31-59-53)51(50)45-29-34-14-4-9-21-43(34)60-45/h1-32,59-60H,(H,62,63)
InChIKeyYKZYKCDLDKWNRX-UHFFFAOYSA-N
MW833.96 g/mol
LogP14.62
Rot. Bonds6

About 7-(2-benzofuran-1-yl)-3-(1H-indazol-3-yl)-4-indolizin-1-yl-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-2-isoquinolin-1-ylquinoline

7-(2-benzofuran-1-yl)-3-(1H-indazol-3-yl)-4-indolizin-1-yl-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-2-isoquinolin-1-ylquinoline (PubChem CID 141084270) has the molecular formula C57H35N7O and a molecular weight of 833.96 g/mol. Its IUPAC name is 7-(2-benzofuran-1-yl)-3-(1H-indazol-3-yl)-4-indolizin-1-yl-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-2-isoquinolin-1-ylquinoline.

Molecular Properties

Compound Name7-(2-benzofuran-1-yl)-3-(1H-indazol-3-yl)-4-indolizin-1-yl-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-2-isoquinolin-1-ylquinoline
PubChem CID141084270
Molecular FormulaC57H35N7O
Molecular Weight833.96 g/mol
Exact Mass833.29
IUPAC Name7-(2-benzofuran-1-yl)-3-(1H-indazol-3-yl)-4-indolizin-1-yl-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-2-isoquinolin-1-ylquinoline
SMILESc1ccc2[nH]c(-c3c(-c4[nH]cc5ccccc45)c(-c4occ5ccccc45)cc4nc(-c5nccc6ccccc56)c(-c5n[nH]c6ccccc56)c(-c5ccn6ccccc56)c34)cc2c1
InChIInChI=1S/C57H35N7O/c1-5-17-37-33(13-1)24-26-58-55(37)56-52(54-40-20-8-10-22-44(40)62-63-54)48(41-25-28-64-27-12-11-23-47(41)64)50-46(61-56)30-42(57-39-19-7-3-16-36(39)32-65-57)49(53-38-18-6-2-15-35(38)31-59-53)51(50)45-29-34-14-4-9-21-43(34)60-45/h1-32,59-60H,(H,62,63)
InChIKeyYKZYKCDLDKWNRX-UHFFFAOYSA-N
XLogP14.62
TPSA103.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.96
LogP ≤ 514.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-(2-benzofuran-1-yl)-3-(1H-indazol-3-yl)-4-indolizin-1-yl-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-2-isoquinolin-1-ylquinoline with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopentyl-N-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 137114593
14-[[4-[1-[2-[2-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-1-ium-1-yl]ethyl]quinolin-1-ium-2-yl]dibenzofuran-3-yl]methyl]-3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 123796450
14-[2-[3-[[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]methyl]dibenzofuran-4-yl]quinolin-1-ium-1-yl]-3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 124007942
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 137113061
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine
CID 137114526
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazole
CID 137115319
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-indazol-3-yl]-4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridine
CID 137312725
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-indazol-3-yl]-4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridine
CID 154514437
(2S)-1-phenyl-3-[[6-phenyl-5-[3-[5-(piperazin-1-ylmethyl)furan-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]propan-2-amine
CID 11497955
6-(8-carbazol-9-yldibenzofuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-[8-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;platinum(2+)
CID 59358678
6-(8-carbazol-9-yldibenzofuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium;6-[8-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide
CID 59359274
8-(2-Pyridin-2-ylphenyl)-5-[6-[3-[8-(2-pyridin-2-ylphenyl)-1,2-dihydropyrido[3,2-b]indol-5-yl]phenyl]dibenzofuran-2-yl]pyrido[3,2-b]indole
CID 68024774

Frequently Asked Questions

What is the IUPAC name of 7-(2-benzofuran-1-yl)-3-(1H-indazol-3-yl)-4-indolizin-1-yl-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-2-isoquinolin-1-ylquinoline?
The IUPAC name of 7-(2-benzofuran-1-yl)-3-(1H-indazol-3-yl)-4-indolizin-1-yl-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-2-isoquinolin-1-ylquinoline (CID 141084270) is 7-(2-benzofuran-1-yl)-3-(1H-indazol-3-yl)-4-indolizin-1-yl-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-2-isoquinolin-1-ylquinoline.
What is the SMILES notation for 7-(2-benzofuran-1-yl)-3-(1H-indazol-3-yl)-4-indolizin-1-yl-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-2-isoquinolin-1-ylquinoline?
The canonical SMILES for 7-(2-benzofuran-1-yl)-3-(1H-indazol-3-yl)-4-indolizin-1-yl-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-2-isoquinolin-1-ylquinoline is c1ccc2[nH]c(-c3c(-c4[nH]cc5ccccc45)c(-c4occ5ccccc45)cc4nc(-c5nccc6ccccc56)c(-c5n[nH]c6ccccc56)c(-c5ccn6ccccc56)c34)cc2c1.
What is the InChIKey of 7-(2-benzofuran-1-yl)-3-(1H-indazol-3-yl)-4-indolizin-1-yl-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-2-isoquinolin-1-ylquinoline?
The InChIKey is YKZYKCDLDKWNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N7O/c1-5-17-37-33(13-1)24-26-58-55(37)56-52(54-40-20-8-10-22-44(40)62-63-54)48(41-25-28-64-27-12-11-23-47(41)64)50-46(61-56)30-42(57-39-19-7-3-16-36(39)32-65-57)49(53-38-18-6-2-15-35(38)31-59-53)51(50)45-29-34-14-4-9-21-43(34)60-45/h1-32,59-60H,(H,62,63).
What are the key properties of 7-(2-benzofuran-1-yl)-3-(1H-indazol-3-yl)-4-indolizin-1-yl-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-2-isoquinolin-1-ylquinoline?
7-(2-benzofuran-1-yl)-3-(1H-indazol-3-yl)-4-indolizin-1-yl-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-2-isoquinolin-1-ylquinoline has a molecular weight of 833.96 g/mol, XLogP of 14.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-benzofuran-1-yl)-3-(1H-indazol-3-yl)-4-indolizin-1-yl-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-2-isoquinolin-1-ylquinoline is sourced from PubChem (CID 141084270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).