1-[2-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-6-quinolin-2-ylphenyl]isoquinoline

C56H36N4OS — CID 140981088

IUPAC1-[2-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-6-quinolin-2-ylphenyl]isoquinoline
SMILESc1ccc2c(c1)CCN2c1c(-c2ccc3ccccc3n2)c(-c2nccc3ccccc23)c(-c2cc3ccccc3o2)c(-c2cc3ccccc3s2)c1-c1cc2ccccc2[nH]1
InChIInChI=1S/C56H36N4OS/c1-7-19-40-34(13-1)27-29-57-55(40)54-50(43-26-25-35-14-2-8-20-41(35)58-43)56(60-30-28-36-15-4-10-22-45(36)60)51(44-31-37-16-3-9-21-42(37)59-44)53(49-33-39-18-6-12-24-48(39)62-49)52(54)47-32-38-17-5-11-23-46(38)61-47/h1-27,29,31-33,59H,28,30H2
InChIKeyCVOKXBGOILRIQH-UHFFFAOYSA-N
MW813.00 g/mol
LogP15.25
Rot. Bonds6

About 1-[2-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-6-quinolin-2-ylphenyl]isoquinoline

1-[2-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-6-quinolin-2-ylphenyl]isoquinoline (PubChem CID 140981088) has the molecular formula C56H36N4OS and a molecular weight of 813.00 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-6-quinolin-2-ylphenyl]isoquinoline.

Molecular Properties

Compound Name1-[2-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-6-quinolin-2-ylphenyl]isoquinoline
PubChem CID140981088
Molecular FormulaC56H36N4OS
Molecular Weight813.00 g/mol
Exact Mass812.26
IUPAC Name1-[2-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-6-quinolin-2-ylphenyl]isoquinoline
SMILESc1ccc2c(c1)CCN2c1c(-c2ccc3ccccc3n2)c(-c2nccc3ccccc23)c(-c2cc3ccccc3o2)c(-c2cc3ccccc3s2)c1-c1cc2ccccc2[nH]1
InChIInChI=1S/C56H36N4OS/c1-7-19-40-34(13-1)27-29-57-55(40)54-50(43-26-25-35-14-2-8-20-41(35)58-43)56(60-30-28-36-15-4-10-22-45(36)60)51(44-31-37-16-3-9-21-42(37)59-44)53(49-33-39-18-6-12-24-48(39)62-49)52(54)47-32-38-17-5-11-23-46(38)61-47/h1-27,29,31-33,59H,28,30H2
InChIKeyCVOKXBGOILRIQH-UHFFFAOYSA-N
XLogP15.25
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.00
LogP ≤ 515.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-6-quinolin-2-ylphenyl]isoquinoline 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
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
3-(2-Pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 57958329
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 1-[2-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-6-quinolin-2-ylphenyl]isoquinoline?
The IUPAC name of 1-[2-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-6-quinolin-2-ylphenyl]isoquinoline (CID 140981088) is 1-[2-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-6-quinolin-2-ylphenyl]isoquinoline.
What is the SMILES notation for 1-[2-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-6-quinolin-2-ylphenyl]isoquinoline?
The canonical SMILES for 1-[2-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-6-quinolin-2-ylphenyl]isoquinoline is c1ccc2c(c1)CCN2c1c(-c2ccc3ccccc3n2)c(-c2nccc3ccccc23)c(-c2cc3ccccc3o2)c(-c2cc3ccccc3s2)c1-c1cc2ccccc2[nH]1.
What is the InChIKey of 1-[2-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-6-quinolin-2-ylphenyl]isoquinoline?
The InChIKey is CVOKXBGOILRIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4OS/c1-7-19-40-34(13-1)27-29-57-55(40)54-50(43-26-25-35-14-2-8-20-41(35)58-43)56(60-30-28-36-15-4-10-22-45(36)60)51(44-31-37-16-3-9-21-42(37)59-44)53(49-33-39-18-6-12-24-48(39)62-49)52(54)47-32-38-17-5-11-23-46(38)61-47/h1-27,29,31-33,59H,28,30H2.
What are the key properties of 1-[2-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-6-quinolin-2-ylphenyl]isoquinoline?
1-[2-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-6-quinolin-2-ylphenyl]isoquinoline has a molecular weight of 813.00 g/mol, XLogP of 15.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-6-quinolin-2-ylphenyl]isoquinoline is sourced from PubChem (CID 140981088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).