[3-([1]benzothiolo[2,3-c]isoquinolin-5-yl)phenyl]-triphenylsilane;5-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline

C125H79N5S3Si — CID 158363264

IUPAC[3-([1]benzothiolo[2,3-c]isoquinolin-5-yl)phenyl]-triphenylsilane;5-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline
SMILESc1ccc(-c2c3ccccc3c(-c3cccc(-c4nc5sc6ccccc6c5c5ccccc45)c3)c3ccccc23)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(-c6nc7sc8ccccc8c7c7ccccc67)c5)c4c32)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc4sc5ccccc5c4c4ccccc34)c2)cc1
InChIInChI=1S/C45H27N3S.C41H25NS.C39H27NSSi/c1-2-14-29(15-3-1)47-38-22-9-6-17-31(38)35-25-26-36-32-18-7-10-23-39(32)48(44(36)43(35)47)30-16-12-13-28(27-30)42-34-20-5-4-19-33(34)41-37-21-8-11-24-40(37)49-45(41)46-42;1-2-13-26(14-3-1)37-29-17-4-6-19-31(29)38(32-20-7-5-18-30(32)37)27-15-12-16-28(25-27)40-34-22-9-8-21-33(34)39-35-23-10-11-24-36(35)43-41(39)42-40;1-4-16-29(17-5-1)42(30-18-6-2-7-19-30,31-20-8-3-9-21-31)32-22-14-15-28(27-32)38-34-24-11-10-23-33(34)37-35-25-12-13-26-36(35)41-39(37)40-38/h1-27H;1-25H;1-27H
InChIKeyGTSLQFQUDZZTQF-UHFFFAOYSA-N
MW1775.33 g/mol
LogP32.02
Rot. Bonds11

About [3-([1]benzothiolo[2,3-c]isoquinolin-5-yl)phenyl]-triphenylsilane;5-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline

[3-([1]benzothiolo[2,3-c]isoquinolin-5-yl)phenyl]-triphenylsilane;5-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline (PubChem CID 158363264) has the molecular formula C125H79N5S3Si and a molecular weight of 1775.33 g/mol. Its IUPAC name is [3-([1]benzothiolo[2,3-c]isoquinolin-5-yl)phenyl]-triphenylsilane;5-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline.

Molecular Properties

Compound Name[3-([1]benzothiolo[2,3-c]isoquinolin-5-yl)phenyl]-triphenylsilane;5-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline
PubChem CID158363264
Molecular FormulaC125H79N5S3Si
Molecular Weight1775.33 g/mol
Exact Mass1773.53
IUPAC Name[3-([1]benzothiolo[2,3-c]isoquinolin-5-yl)phenyl]-triphenylsilane;5-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline
SMILESc1ccc(-c2c3ccccc3c(-c3cccc(-c4nc5sc6ccccc6c5c5ccccc45)c3)c3ccccc23)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(-c6nc7sc8ccccc8c7c7ccccc67)c5)c4c32)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc4sc5ccccc5c4c4ccccc34)c2)cc1
InChIInChI=1S/C45H27N3S.C41H25NS.C39H27NSSi/c1-2-14-29(15-3-1)47-38-22-9-6-17-31(38)35-25-26-36-32-18-7-10-23-39(32)48(44(36)43(35)47)30-16-12-13-28(27-30)42-34-20-5-4-19-33(34)41-37-21-8-11-24-40(37)49-45(41)46-42;1-2-13-26(14-3-1)37-29-17-4-6-19-31(29)38(32-20-7-5-18-30(32)37)27-15-12-16-28(25-27)40-34-22-9-8-21-33(34)39-35-23-10-11-24-36(35)43-41(39)42-40;1-4-16-29(17-5-1)42(30-18-6-2-7-19-30,31-20-8-3-9-21-31)32-22-14-15-28(27-32)38-34-24-11-10-23-33(34)37-35-25-12-13-26-36(35)41-39(37)40-38/h1-27H;1-25H;1-27H
InChIKeyGTSLQFQUDZZTQF-UHFFFAOYSA-N
XLogP32.02
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001775.33
LogP ≤ 532.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [3-([1]benzothiolo[2,3-c]isoquinolin-5-yl)phenyl]-triphenylsilane;5-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline with MolForge

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Related Compounds

5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline
CID 129134329
2-phenyl-4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine
CID 130334070
12-[3-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 130334120
5-[4-[2-(3-carbazol-9-ylphenyl)-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline
CID 163531821
5-[4-[2-(3-carbazol-9-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline
CID 163642771
triphenyl-[3-[12-(3-triphenylsilylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]silane
CID 168792006
bis(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-diphenylsilane
CID 58489663
triphenyl-[3-[12-[3-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]silane
CID 172534554
triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane
CID 166589020
[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 90773884
12-[3-(4-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 130333532
bis(3-carbazol-9-ylphenyl)-diphenylsilane;9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 161133194

Frequently Asked Questions

What is the IUPAC name of [3-([1]benzothiolo[2,3-c]isoquinolin-5-yl)phenyl]-triphenylsilane;5-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline?
The IUPAC name of [3-([1]benzothiolo[2,3-c]isoquinolin-5-yl)phenyl]-triphenylsilane;5-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline (CID 158363264) is [3-([1]benzothiolo[2,3-c]isoquinolin-5-yl)phenyl]-triphenylsilane;5-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline.
What is the SMILES notation for [3-([1]benzothiolo[2,3-c]isoquinolin-5-yl)phenyl]-triphenylsilane;5-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline?
The canonical SMILES for [3-([1]benzothiolo[2,3-c]isoquinolin-5-yl)phenyl]-triphenylsilane;5-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline is c1ccc(-c2c3ccccc3c(-c3cccc(-c4nc5sc6ccccc6c5c5ccccc45)c3)c3ccccc23)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(-c6nc7sc8ccccc8c7c7ccccc67)c5)c4c32)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc4sc5ccccc5c4c4ccccc34)c2)cc1.
What is the InChIKey of [3-([1]benzothiolo[2,3-c]isoquinolin-5-yl)phenyl]-triphenylsilane;5-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline?
The InChIKey is GTSLQFQUDZZTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3S.C41H25NS.C39H27NSSi/c1-2-14-29(15-3-1)47-38-22-9-6-17-31(38)35-25-26-36-32-18-7-10-23-39(32)48(44(36)43(35)47)30-16-12-13-28(27-30)42-34-20-5-4-19-33(34)41-37-21-8-11-24-40(37)49-45(41)46-42;1-2-13-26(14-3-1)37-29-17-4-6-19-31(29)38(32-20-7-5-18-30(32)37)27-15-12-16-28(25-27)40-34-22-9-8-21-33(34)39-35-23-10-11-24-36(35)43-41(39)42-40;1-4-16-29(17-5-1)42(30-18-6-2-7-19-30,31-20-8-3-9-21-31)32-22-14-15-28(27-32)38-34-24-11-10-23-33(34)37-35-25-12-13-26-36(35)41-39(37)40-38/h1-27H;1-25H;1-27H.
What are the key properties of [3-([1]benzothiolo[2,3-c]isoquinolin-5-yl)phenyl]-triphenylsilane;5-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline?
[3-([1]benzothiolo[2,3-c]isoquinolin-5-yl)phenyl]-triphenylsilane;5-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline has a molecular weight of 1775.33 g/mol, XLogP of 32.02, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-([1]benzothiolo[2,3-c]isoquinolin-5-yl)phenyl]-triphenylsilane;5-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline is sourced from PubChem (CID 158363264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).