2-carbazol-9-yl-6-methyl-[1]benzothiolo[3,2-d]pyrimidine;2-carbazol-9-yl-8-methyl-[1]benzothiolo[3,2-d]pyrimidine;6-methyl-[1]benzothiolo[3,2-b]pyridine;6-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;8-methyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine

C104H70N12S5 — CID 160723673

IUPAC2-carbazol-9-yl-6-methyl-[1]benzothiolo[3,2-d]pyrimidine;2-carbazol-9-yl-8-methyl-[1]benzothiolo[3,2-d]pyrimidine;6-methyl-[1]benzothiolo[3,2-b]pyridine;6-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;8-methyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine
SMILESCc1ccc2sc3cnc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc3c2c1.Cc1ccc2sc3cnc(-n4c5ccccc5c5ccccc54)nc3c2c1.Cc1cccc2c1sc1cccnc12.Cc1cccc2c1sc1cnc(-c3ccccc3)nc12.Cc1cccc2c1sc1cnc(-n3c4ccccc4c4ccccc43)nc12
InChIInChI=1S/C29H19N3S.2C23H15N3S.C17H12N2S.C12H9NS/c1-18-11-14-26-23(15-18)28-27(33-26)17-30-29(31-28)19-12-13-25-22(16-19)21-9-5-6-10-24(21)32(25)20-7-3-2-4-8-20;1-14-7-6-10-17-21-20(27-22(14)17)13-24-23(25-21)26-18-11-4-2-8-15(18)16-9-3-5-12-19(16)26;1-14-10-11-20-17(12-14)22-21(27-20)13-24-23(25-22)26-18-8-4-2-6-15(18)16-7-3-5-9-19(16)26;1-11-6-5-9-13-15-14(20-16(11)13)10-18-17(19-15)12-7-3-2-4-8-12;1-8-4-2-5-9-11-10(14-12(8)9)6-3-7-13-11/h2-17H,1H3;2*2-13H,1H3;2-10H,1H3;2-7H,1H3
InChIKeyRTKRVIMBXMLVNF-UHFFFAOYSA-N
MW1648.12 g/mol
LogP28.99
Rot. Bonds5

About 2-carbazol-9-yl-6-methyl-[1]benzothiolo[3,2-d]pyrimidine;2-carbazol-9-yl-8-methyl-[1]benzothiolo[3,2-d]pyrimidine;6-methyl-[1]benzothiolo[3,2-b]pyridine;6-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;8-methyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine

2-carbazol-9-yl-6-methyl-[1]benzothiolo[3,2-d]pyrimidine;2-carbazol-9-yl-8-methyl-[1]benzothiolo[3,2-d]pyrimidine;6-methyl-[1]benzothiolo[3,2-b]pyridine;6-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;8-methyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 160723673) has the molecular formula C104H70N12S5 and a molecular weight of 1648.12 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-methyl-[1]benzothiolo[3,2-d]pyrimidine;2-carbazol-9-yl-8-methyl-[1]benzothiolo[3,2-d]pyrimidine;6-methyl-[1]benzothiolo[3,2-b]pyridine;6-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;8-methyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-carbazol-9-yl-6-methyl-[1]benzothiolo[3,2-d]pyrimidine;2-carbazol-9-yl-8-methyl-[1]benzothiolo[3,2-d]pyrimidine;6-methyl-[1]benzothiolo[3,2-b]pyridine;6-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;8-methyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID160723673
Molecular FormulaC104H70N12S5
Molecular Weight1648.12 g/mol
Exact Mass1646.44
IUPAC Name2-carbazol-9-yl-6-methyl-[1]benzothiolo[3,2-d]pyrimidine;2-carbazol-9-yl-8-methyl-[1]benzothiolo[3,2-d]pyrimidine;6-methyl-[1]benzothiolo[3,2-b]pyridine;6-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;8-methyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine
SMILESCc1ccc2sc3cnc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc3c2c1.Cc1ccc2sc3cnc(-n4c5ccccc5c5ccccc54)nc3c2c1.Cc1cccc2c1sc1cccnc12.Cc1cccc2c1sc1cnc(-c3ccccc3)nc12.Cc1cccc2c1sc1cnc(-n3c4ccccc4c4ccccc43)nc12
InChIInChI=1S/C29H19N3S.2C23H15N3S.C17H12N2S.C12H9NS/c1-18-11-14-26-23(15-18)28-27(33-26)17-30-29(31-28)19-12-13-25-22(16-19)21-9-5-6-10-24(21)32(25)20-7-3-2-4-8-20;1-14-7-6-10-17-21-20(27-22(14)17)13-24-23(25-21)26-18-11-4-2-8-15(18)16-9-3-5-12-19(16)26;1-14-10-11-20-17(12-14)22-21(27-20)13-24-23(25-22)26-18-8-4-2-6-15(18)16-7-3-5-9-19(16)26;1-11-6-5-9-13-15-14(20-16(11)13)10-18-17(19-15)12-7-3-2-4-8-12;1-8-4-2-5-9-11-10(14-12(8)9)6-3-7-13-11/h2-17H,1H3;2*2-13H,1H3;2-10H,1H3;2-7H,1H3
InChIKeyRTKRVIMBXMLVNF-UHFFFAOYSA-N
XLogP28.99
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds5
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001648.12
LogP ≤ 528.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-carbazol-9-yl-6-methyl-[1]benzothiolo[3,2-d]pyrimidine;2-carbazol-9-yl-8-methyl-[1]benzothiolo[3,2-d]pyrimidine;6-methyl-[1]benzothiolo[3,2-b]pyridine;6-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;8-methyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine with MolForge

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Related Compounds

8-(3-carbazol-9-ylphenyl)-2-(3-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 177271411
8-(3-carbazol-9-ylphenyl)-2-(2-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 177271684
2-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 118232330
2-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 118232483
8-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 122693074
8-[3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylpyrido[3,2-b]indole
CID 158361264
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-[1]benzothiolo[2,3-b]carbazole;2-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;9-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 159780047
6-[3-[4-(3-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 172500377
4-phenyl-2-[8-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 158207930
2-(3-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine;ethane
CID 144884626
9-(4-dibenzothiophen-2-ylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438044
8-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10-thia-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
CID 144848500

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-methyl-[1]benzothiolo[3,2-d]pyrimidine;2-carbazol-9-yl-8-methyl-[1]benzothiolo[3,2-d]pyrimidine;6-methyl-[1]benzothiolo[3,2-b]pyridine;6-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;8-methyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 2-carbazol-9-yl-6-methyl-[1]benzothiolo[3,2-d]pyrimidine;2-carbazol-9-yl-8-methyl-[1]benzothiolo[3,2-d]pyrimidine;6-methyl-[1]benzothiolo[3,2-b]pyridine;6-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;8-methyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine (CID 160723673) is 2-carbazol-9-yl-6-methyl-[1]benzothiolo[3,2-d]pyrimidine;2-carbazol-9-yl-8-methyl-[1]benzothiolo[3,2-d]pyrimidine;6-methyl-[1]benzothiolo[3,2-b]pyridine;6-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;8-methyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-carbazol-9-yl-6-methyl-[1]benzothiolo[3,2-d]pyrimidine;2-carbazol-9-yl-8-methyl-[1]benzothiolo[3,2-d]pyrimidine;6-methyl-[1]benzothiolo[3,2-b]pyridine;6-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;8-methyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 2-carbazol-9-yl-6-methyl-[1]benzothiolo[3,2-d]pyrimidine;2-carbazol-9-yl-8-methyl-[1]benzothiolo[3,2-d]pyrimidine;6-methyl-[1]benzothiolo[3,2-b]pyridine;6-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;8-methyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine is Cc1ccc2sc3cnc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc3c2c1.Cc1ccc2sc3cnc(-n4c5ccccc5c5ccccc54)nc3c2c1.Cc1cccc2c1sc1cccnc12.Cc1cccc2c1sc1cnc(-c3ccccc3)nc12.Cc1cccc2c1sc1cnc(-n3c4ccccc4c4ccccc43)nc12.
What is the InChIKey of 2-carbazol-9-yl-6-methyl-[1]benzothiolo[3,2-d]pyrimidine;2-carbazol-9-yl-8-methyl-[1]benzothiolo[3,2-d]pyrimidine;6-methyl-[1]benzothiolo[3,2-b]pyridine;6-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;8-methyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is RTKRVIMBXMLVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3S.2C23H15N3S.C17H12N2S.C12H9NS/c1-18-11-14-26-23(15-18)28-27(33-26)17-30-29(31-28)19-12-13-25-22(16-19)21-9-5-6-10-24(21)32(25)20-7-3-2-4-8-20;1-14-7-6-10-17-21-20(27-22(14)17)13-24-23(25-21)26-18-11-4-2-8-15(18)16-9-3-5-12-19(16)26;1-14-10-11-20-17(12-14)22-21(27-20)13-24-23(25-22)26-18-8-4-2-6-15(18)16-7-3-5-9-19(16)26;1-11-6-5-9-13-15-14(20-16(11)13)10-18-17(19-15)12-7-3-2-4-8-12;1-8-4-2-5-9-11-10(14-12(8)9)6-3-7-13-11/h2-17H,1H3;2*2-13H,1H3;2-10H,1H3;2-7H,1H3.
What are the key properties of 2-carbazol-9-yl-6-methyl-[1]benzothiolo[3,2-d]pyrimidine;2-carbazol-9-yl-8-methyl-[1]benzothiolo[3,2-d]pyrimidine;6-methyl-[1]benzothiolo[3,2-b]pyridine;6-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;8-methyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine?
2-carbazol-9-yl-6-methyl-[1]benzothiolo[3,2-d]pyrimidine;2-carbazol-9-yl-8-methyl-[1]benzothiolo[3,2-d]pyrimidine;6-methyl-[1]benzothiolo[3,2-b]pyridine;6-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;8-methyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 1648.12 g/mol, XLogP of 28.99, 5 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-6-methyl-[1]benzothiolo[3,2-d]pyrimidine;2-carbazol-9-yl-8-methyl-[1]benzothiolo[3,2-d]pyrimidine;6-methyl-[1]benzothiolo[3,2-b]pyridine;6-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;8-methyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 160723673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).