4-[3-(4,6-diphenylpyrimidin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine

C183H111N13S4 — CID 158464421

IUPAC4-[3-(4,6-diphenylpyrimidin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine
SMILESc1ccc(-c2cc(-c3cc(-c4cccc5ccccc45)cc(-c4ccnc5c4sc4ccccc45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc(-c4ccnc5c4sc4ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc5ccccc45)cc(-c4ccnc5c4sc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc(-c4ccnc5c4sc4ccccc45)c3)n2)cc1
InChIInChI=1S/C49H29N3S.C48H28N4S.2C43H27N3S/c1-3-12-30(13-4-1)43-29-44(31-14-5-2-6-15-31)52-49(51-43)34-27-32(26-33(28-34)36-24-25-50-47-42-18-9-10-21-45(42)53-48(36)47)35-22-23-41-38-17-8-7-16-37(38)40-20-11-19-39(35)46(40)41;1-3-12-29(13-4-1)46-50-47(30-14-5-2-6-15-30)52-48(51-46)33-27-31(26-32(28-33)35-24-25-49-44-41-18-9-10-21-42(41)53-45(35)44)34-22-23-40-37-17-8-7-16-36(37)39-20-11-19-38(34)43(39)40;1-3-13-29(14-4-1)38-27-39(46-43(45-38)30-15-5-2-6-16-30)33-25-31(35-20-11-17-28-12-7-8-18-34(28)35)24-32(26-33)36-22-23-44-41-37-19-9-10-21-40(37)47-42(36)41;1-3-13-29(14-4-1)38-27-39(30-15-5-2-6-16-30)46-43(45-38)33-25-31(35-20-11-17-28-12-7-8-18-34(28)35)24-32(26-33)36-22-23-44-41-37-19-9-10-21-40(37)47-42(36)41/h1-29H;1-28H;2*1-27H
InChIKeyHFOPYNKTROLBIU-UHFFFAOYSA-N
MW2620.26 g/mol
LogP49.60
Rot. Bonds20

About 4-[3-(4,6-diphenylpyrimidin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine

4-[3-(4,6-diphenylpyrimidin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine (PubChem CID 158464421) has the molecular formula C183H111N13S4 and a molecular weight of 2620.26 g/mol. Its IUPAC name is 4-[3-(4,6-diphenylpyrimidin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine.

Molecular Properties

Compound Name4-[3-(4,6-diphenylpyrimidin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine
PubChem CID158464421
Molecular FormulaC183H111N13S4
Molecular Weight2620.26 g/mol
Exact Mass2617.80
IUPAC Name4-[3-(4,6-diphenylpyrimidin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine
SMILESc1ccc(-c2cc(-c3cc(-c4cccc5ccccc45)cc(-c4ccnc5c4sc4ccccc45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc(-c4ccnc5c4sc4ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc5ccccc45)cc(-c4ccnc5c4sc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc(-c4ccnc5c4sc4ccccc45)c3)n2)cc1
InChIInChI=1S/C49H29N3S.C48H28N4S.2C43H27N3S/c1-3-12-30(13-4-1)43-29-44(31-14-5-2-6-15-31)52-49(51-43)34-27-32(26-33(28-34)36-24-25-50-47-42-18-9-10-21-45(42)53-48(36)47)35-22-23-41-38-17-8-7-16-37(38)40-20-11-19-39(35)46(40)41;1-3-12-29(13-4-1)46-50-47(30-14-5-2-6-15-30)52-48(51-46)33-27-31(26-32(28-33)35-24-25-49-44-41-18-9-10-21-42(41)53-45(35)44)34-22-23-40-37-17-8-7-16-36(37)39-20-11-19-38(34)43(39)40;1-3-13-29(14-4-1)38-27-39(46-43(45-38)30-15-5-2-6-16-30)33-25-31(35-20-11-17-28-12-7-8-18-34(28)35)24-32(26-33)36-22-23-44-41-37-19-9-10-21-40(37)47-42(36)41;1-3-13-29(14-4-1)38-27-39(30-15-5-2-6-16-30)46-43(45-38)33-25-31(35-20-11-17-28-12-7-8-18-34(28)35)24-32(26-33)36-22-23-44-41-37-19-9-10-21-40(37)47-42(36)41/h1-29H;1-28H;2*1-27H
InChIKeyHFOPYNKTROLBIU-UHFFFAOYSA-N
XLogP49.60
TPSA167.57 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002620.26
LogP ≤ 549.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 4-[3-(4,6-diphenylpyrimidin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine with MolForge

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Related Compounds

4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenanthren-9-ylphenyl]-[1]benzothiolo[3,2-b]pyridine
CID 134316406
4-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-2,6-diphenylpyrimidine
CID 171582581
4-[3-(2,6-diphenylpyrimidin-4-yl)-4-phenanthren-9-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenylpyrimidin-2-yl)-4-phenanthren-9-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-ylphenyl]-[1]benzothiolo[3,2-b]pyridine
CID 158890756
4-[3-dibenzothiophen-4-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583500
4-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-pyridin-4-ylpyrimidine
CID 171585375
4-[3-dibenzothiophen-4-yl-5-(4-naphthalen-1-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171582604
4-[3-[3,4-bis(ethenyl)naphthalen-1-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 142298068
4-[4-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-yl]-2,6-diphenylpyrimidine
CID 142491221
4-[3-dibenzothiophen-4-yl-5-(2-dibenzothiophen-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171582895
4-dibenzothiophen-1-yl-6-(3-fluoranthen-3-yl-5-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 130355621
4-[3-dibenzothiophen-4-yl-5-(3-dibenzothiophen-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171585763
8-[3-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine
CID 142297990

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,6-diphenylpyrimidin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine?
The IUPAC name of 4-[3-(4,6-diphenylpyrimidin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine (CID 158464421) is 4-[3-(4,6-diphenylpyrimidin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine.
What is the SMILES notation for 4-[3-(4,6-diphenylpyrimidin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine?
The canonical SMILES for 4-[3-(4,6-diphenylpyrimidin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine is c1ccc(-c2cc(-c3cc(-c4cccc5ccccc45)cc(-c4ccnc5c4sc4ccccc45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc(-c4ccnc5c4sc4ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc5ccccc45)cc(-c4ccnc5c4sc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc(-c4ccnc5c4sc4ccccc45)c3)n2)cc1.
What is the InChIKey of 4-[3-(4,6-diphenylpyrimidin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine?
The InChIKey is HFOPYNKTROLBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3S.C48H28N4S.2C43H27N3S/c1-3-12-30(13-4-1)43-29-44(31-14-5-2-6-15-31)52-49(51-43)34-27-32(26-33(28-34)36-24-25-50-47-42-18-9-10-21-45(42)53-48(36)47)35-22-23-41-38-17-8-7-16-37(38)40-20-11-19-39(35)46(40)41;1-3-12-29(13-4-1)46-50-47(30-14-5-2-6-15-30)52-48(51-46)33-27-31(26-32(28-33)35-24-25-49-44-41-18-9-10-21-42(41)53-45(35)44)34-22-23-40-37-17-8-7-16-36(37)39-20-11-19-38(34)43(39)40;1-3-13-29(14-4-1)38-27-39(46-43(45-38)30-15-5-2-6-16-30)33-25-31(35-20-11-17-28-12-7-8-18-34(28)35)24-32(26-33)36-22-23-44-41-37-19-9-10-21-40(37)47-42(36)41;1-3-13-29(14-4-1)38-27-39(30-15-5-2-6-16-30)46-43(45-38)33-25-31(35-20-11-17-28-12-7-8-18-34(28)35)24-32(26-33)36-22-23-44-41-37-19-9-10-21-40(37)47-42(36)41/h1-29H;1-28H;2*1-27H.
What are the key properties of 4-[3-(4,6-diphenylpyrimidin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine?
4-[3-(4,6-diphenylpyrimidin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine has a molecular weight of 2620.26 g/mol, XLogP of 49.60, 20 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,6-diphenylpyrimidin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluoranthen-3-ylphenyl]-[1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 158464421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).