5-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]isoquinoline

C33H19NOS — CID 129134265

IUPAC5-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]isoquinoline
SMILESc1cc(-c2nc3c4ccccc4sc3c3ccccc23)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C33H19NOS/c1-2-13-26-24(12-1)30(34-31-27-14-4-6-18-29(27)36-33(26)31)21-10-7-9-20(19-21)22-15-8-16-25-23-11-3-5-17-28(23)35-32(22)25/h1-19H
InChIKeyZDPFOJVIOSAKJP-UHFFFAOYSA-N
MW477.59 g/mol
LogP9.84
Rot. Bonds2

About 5-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]isoquinoline

5-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]isoquinoline (PubChem CID 129134265) has the molecular formula C33H19NOS and a molecular weight of 477.59 g/mol. Its IUPAC name is 5-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]isoquinoline.

Molecular Properties

Compound Name5-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]isoquinoline
PubChem CID129134265
Molecular FormulaC33H19NOS
Molecular Weight477.59 g/mol
Exact Mass477.12
IUPAC Name5-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]isoquinoline
SMILESc1cc(-c2nc3c4ccccc4sc3c3ccccc23)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C33H19NOS/c1-2-13-26-24(12-1)30(34-31-27-14-4-6-18-29(27)36-33(26)31)21-10-7-9-20(19-21)22-15-8-16-25-23-11-3-5-17-28(23)35-32(22)25/h1-19H
InChIKeyZDPFOJVIOSAKJP-UHFFFAOYSA-N
XLogP9.84
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.59
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(2-dibenzofuran-4-yl-6-naphthalen-2-ylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]isoquinoline
CID 163761790
2-(3-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4,6-diphenyl-1,3,5-triazine
CID 144953430
2-(4-dibenzofuran-4-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 130288940
5-[3-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]isoquinoline
CID 163488407
2-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309
2-dibenzofuran-3-yl-4-(4-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 163547300
2-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978263
5-[4-(2-dibenzofuran-4-yl-6-phenyl-4,5-dihydropyrimidin-4-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline
CID 155018681
4-[3-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene;2-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran;4-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 158785351
8-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 159560395
19-(3-dibenzothiophen-4-ylphenyl)-3-oxa-18-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-phenanthren-9-yl-3-oxa-18-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
CID 161045482
3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine
CID 58410142

Frequently Asked Questions

What is the IUPAC name of 5-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]isoquinoline?
The IUPAC name of 5-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]isoquinoline (CID 129134265) is 5-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]isoquinoline.
What is the SMILES notation for 5-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]isoquinoline?
The canonical SMILES for 5-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]isoquinoline is c1cc(-c2nc3c4ccccc4sc3c3ccccc23)cc(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 5-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]isoquinoline?
The InChIKey is ZDPFOJVIOSAKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19NOS/c1-2-13-26-24(12-1)30(34-31-27-14-4-6-18-29(27)36-33(26)31)21-10-7-9-20(19-21)22-15-8-16-25-23-11-3-5-17-28(23)35-32(22)25/h1-19H.
What are the key properties of 5-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]isoquinoline?
5-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]isoquinoline has a molecular weight of 477.59 g/mol, XLogP of 9.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]isoquinoline is sourced from PubChem (CID 129134265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).