[4-([1]benzothiolo[2,3-c]quinolin-3-yl)phenyl]-triphenylsilane;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline

C112H72N8S3Si — CID 159933384

IUPAC[4-([1]benzothiolo[2,3-c]quinolin-3-yl)phenyl]-triphenylsilane;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)ncc4sc6ccccc6c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)ncc4sc6ccccc6c45)cc3)n2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc4c(c3)ncc3sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C39H27NSSi.C37H23N3S.C36H22N4S/c1-4-12-30(13-5-1)42(31-14-6-2-7-15-31,32-16-8-3-9-17-32)33-23-20-28(21-24-33)29-22-25-34-36(26-29)40-27-38-39(34)35-18-10-11-19-37(35)41-38;1-3-9-25(10-4-1)31-22-32(26-11-5-2-6-12-26)40-37(39-31)27-17-15-24(16-18-27)28-19-20-29-33(21-28)38-23-35-36(29)30-13-7-8-14-34(30)41-35;1-3-9-24(10-4-1)34-38-35(25-11-5-2-6-12-25)40-36(39-34)26-17-15-23(16-18-26)27-19-20-28-30(21-27)37-22-32-33(28)29-13-7-8-14-31(29)41-32/h1-27H;1-23H;1-22H
InChIKeyNZXSJGCGKOKNEH-UHFFFAOYSA-N
MW1654.15 g/mol
LogP27.16
Rot. Bonds13

About [4-([1]benzothiolo[2,3-c]quinolin-3-yl)phenyl]-triphenylsilane;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline

[4-([1]benzothiolo[2,3-c]quinolin-3-yl)phenyl]-triphenylsilane;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline (PubChem CID 159933384) has the molecular formula C112H72N8S3Si and a molecular weight of 1654.15 g/mol. Its IUPAC name is [4-([1]benzothiolo[2,3-c]quinolin-3-yl)phenyl]-triphenylsilane;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline.

Molecular Properties

Compound Name[4-([1]benzothiolo[2,3-c]quinolin-3-yl)phenyl]-triphenylsilane;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
PubChem CID159933384
Molecular FormulaC112H72N8S3Si
Molecular Weight1654.15 g/mol
Exact Mass1652.48
IUPAC Name[4-([1]benzothiolo[2,3-c]quinolin-3-yl)phenyl]-triphenylsilane;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)ncc4sc6ccccc6c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)ncc4sc6ccccc6c45)cc3)n2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc4c(c3)ncc3sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C39H27NSSi.C37H23N3S.C36H22N4S/c1-4-12-30(13-5-1)42(31-14-6-2-7-15-31,32-16-8-3-9-17-32)33-23-20-28(21-24-33)29-22-25-34-36(26-29)40-27-38-39(34)35-18-10-11-19-37(35)41-38;1-3-9-25(10-4-1)31-22-32(26-11-5-2-6-12-26)40-37(39-31)27-17-15-24(16-18-27)28-19-20-29-33(21-28)38-23-35-36(29)30-13-7-8-14-34(30)41-35;1-3-9-24(10-4-1)34-38-35(25-11-5-2-6-12-25)40-36(39-34)26-17-15-23(16-18-26)27-19-20-28-30(21-27)37-22-32-33(28)29-13-7-8-14-31(29)41-32/h1-27H;1-23H;1-22H
InChIKeyNZXSJGCGKOKNEH-UHFFFAOYSA-N
XLogP27.16
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001654.15
LogP ≤ 527.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze [4-([1]benzothiolo[2,3-c]quinolin-3-yl)phenyl]-triphenylsilane;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline with MolForge

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Related Compounds

4-(4-dibenzothiophen-3-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 164848878
dibenzothiophen-2-yl-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane
CID 168845229
2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine
CID 130210857
3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 129134367
dibenzothiophen-3-yl-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane
CID 164757082
2-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155328614
2-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 155328619
2-(4-dibenzothiophen-1-ylphenyl)-4,6-bis(3-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 159439837
2,4-diphenyl-6-[4-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]phenyl]pyrimidine
CID 142453376
2-[1-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 142453320
6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 129087636
2,4-diphenyl-6-[9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 155328928

Frequently Asked Questions

What is the IUPAC name of [4-([1]benzothiolo[2,3-c]quinolin-3-yl)phenyl]-triphenylsilane;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline?
The IUPAC name of [4-([1]benzothiolo[2,3-c]quinolin-3-yl)phenyl]-triphenylsilane;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline (CID 159933384) is [4-([1]benzothiolo[2,3-c]quinolin-3-yl)phenyl]-triphenylsilane;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline.
What is the SMILES notation for [4-([1]benzothiolo[2,3-c]quinolin-3-yl)phenyl]-triphenylsilane;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline?
The canonical SMILES for [4-([1]benzothiolo[2,3-c]quinolin-3-yl)phenyl]-triphenylsilane;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)ncc4sc6ccccc6c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)ncc4sc6ccccc6c45)cc3)n2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc4c(c3)ncc3sc5ccccc5c34)cc2)cc1.
What is the InChIKey of [4-([1]benzothiolo[2,3-c]quinolin-3-yl)phenyl]-triphenylsilane;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline?
The InChIKey is NZXSJGCGKOKNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27NSSi.C37H23N3S.C36H22N4S/c1-4-12-30(13-5-1)42(31-14-6-2-7-15-31,32-16-8-3-9-17-32)33-23-20-28(21-24-33)29-22-25-34-36(26-29)40-27-38-39(34)35-18-10-11-19-37(35)41-38;1-3-9-25(10-4-1)31-22-32(26-11-5-2-6-12-26)40-37(39-31)27-17-15-24(16-18-27)28-19-20-29-33(21-28)38-23-35-36(29)30-13-7-8-14-34(30)41-35;1-3-9-24(10-4-1)34-38-35(25-11-5-2-6-12-25)40-36(39-34)26-17-15-23(16-18-26)27-19-20-28-30(21-27)37-22-32-33(28)29-13-7-8-14-31(29)41-32/h1-27H;1-23H;1-22H.
What are the key properties of [4-([1]benzothiolo[2,3-c]quinolin-3-yl)phenyl]-triphenylsilane;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline?
[4-([1]benzothiolo[2,3-c]quinolin-3-yl)phenyl]-triphenylsilane;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline has a molecular weight of 1654.15 g/mol, XLogP of 27.16, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [4-([1]benzothiolo[2,3-c]quinolin-3-yl)phenyl]-triphenylsilane;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 159933384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).