4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-1-quinolin-2-ylisoquinoline

C42H27N3OS — CID 141310235

IUPAC4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-1-quinolin-2-ylisoquinoline
SMILESc1ccc2c(c1)CCN2c1cccc2c(-c3ccc4ccccc4n3)nc(-c3cc4ccccc4s3)c(-c3cc4ccccc4o3)c12
InChIInChI=1S/C42H27N3OS/c1-5-15-31-26(10-1)20-21-32(43-31)41-30-14-9-17-34(45-23-22-27-11-2-6-16-33(27)45)39(30)40(36-24-28-12-3-7-18-35(28)46-36)42(44-41)38-25-29-13-4-8-19-37(29)47-38/h1-21,24-25H,22-23H2
InChIKeyWFOWFBDDKXQATC-UHFFFAOYSA-N
MW621.77 g/mol
LogP11.44
Rot. Bonds4

About 4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-1-quinolin-2-ylisoquinoline

4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-1-quinolin-2-ylisoquinoline (PubChem CID 141310235) has the molecular formula C42H27N3OS and a molecular weight of 621.77 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-1-quinolin-2-ylisoquinoline.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-1-quinolin-2-ylisoquinoline
PubChem CID141310235
Molecular FormulaC42H27N3OS
Molecular Weight621.77 g/mol
Exact Mass621.19
IUPAC Name4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-1-quinolin-2-ylisoquinoline
SMILESc1ccc2c(c1)CCN2c1cccc2c(-c3ccc4ccccc4n3)nc(-c3cc4ccccc4s3)c(-c3cc4ccccc4o3)c12
InChIInChI=1S/C42H27N3OS/c1-5-15-31-26(10-1)20-21-32(43-31)41-30-14-9-17-34(45-23-22-27-11-2-6-16-33(27)45)39(30)40(36-24-28-12-3-7-18-35(28)46-36)42(44-41)38-25-29-13-4-8-19-37(29)47-38/h1-21,24-25H,22-23H2
InChIKeyWFOWFBDDKXQATC-UHFFFAOYSA-N
XLogP11.44
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.77
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-1-quinolin-2-ylisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[9-(8-Fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole
CID 58511007
N-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)-5-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-fluorophenyl)isoquinolin-6-amine
CID 122666307
1-N-dibenzothiophen-2-yl-7-N-(9-fluorodibenzothiophen-2-yl)-1-N-phenyl-7-N-pyridin-3-yldibenzofuran-1,7-diamine
CID 132180668
N-dibenzofuran-1-yl-N-dibenzothiophen-4-yl-9-(4-fluorophenyl)carbazol-3-amine
CID 138716829
N-dibenzofuran-1-yl-N-dibenzothiophen-2-yl-9-(4-fluorophenyl)carbazol-3-amine
CID 138716830
N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 138716840
N-dibenzothiophen-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 138716841
N-dibenzothiophen-2-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 138716967
N-dibenzothiophen-4-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 138716968
N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-(4-fluorophenyl)carbazol-3-amine
CID 138717115
N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-(4-fluorophenyl)carbazol-3-amine
CID 138717118
N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine
CID 155135319

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-1-quinolin-2-ylisoquinoline?
The IUPAC name of 4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-1-quinolin-2-ylisoquinoline (CID 141310235) is 4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-1-quinolin-2-ylisoquinoline.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-1-quinolin-2-ylisoquinoline?
The canonical SMILES for 4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-1-quinolin-2-ylisoquinoline is c1ccc2c(c1)CCN2c1cccc2c(-c3ccc4ccccc4n3)nc(-c3cc4ccccc4s3)c(-c3cc4ccccc4o3)c12.
What is the InChIKey of 4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-1-quinolin-2-ylisoquinoline?
The InChIKey is WFOWFBDDKXQATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3OS/c1-5-15-31-26(10-1)20-21-32(43-31)41-30-14-9-17-34(45-23-22-27-11-2-6-16-33(27)45)39(30)40(36-24-28-12-3-7-18-35(28)46-36)42(44-41)38-25-29-13-4-8-19-37(29)47-38/h1-21,24-25H,22-23H2.
What are the key properties of 4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-1-quinolin-2-ylisoquinoline?
4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-1-quinolin-2-ylisoquinoline has a molecular weight of 621.77 g/mol, XLogP of 11.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-1-quinolin-2-ylisoquinoline is sourced from PubChem (CID 141310235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).