8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole

C168H106N14S4 — CID 157087947

IUPAC8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3cccc(-c4ccc5ccc6sc(-c7ccccc7)nc6c5c4)c3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6ccc7sc(-c8ccccc8)nc7c6c5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6ccc7sc(-c8ccccc8)nc7c6c5)c4)n3)c2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5cccc(-c6nc(-c7ccccc7)c7ccccc7n6)c5)cc43)s2)cc1
InChIInChI=1S/2C44H28N4S.C43H27N3S.C37H23N3S/c1-4-12-29(13-5-1)33-18-10-20-36(26-33)42-46-41(31-14-6-2-7-15-31)47-43(48-42)37-21-11-19-34(27-37)35-23-22-30-24-25-39-40(38(30)28-35)45-44(49-39)32-16-8-3-9-17-32;1-4-11-29(12-5-1)30-19-22-33(23-20-30)42-46-41(32-13-6-2-7-14-32)47-43(48-42)37-18-10-17-35(27-37)36-24-21-31-25-26-39-40(38(31)28-36)45-44(49-39)34-15-8-3-9-16-34;1-3-11-30(12-4-1)38-27-39(35-21-18-28-10-7-8-15-32(28)24-35)45-42(44-38)36-17-9-16-33(25-36)34-20-19-29-22-23-40-41(37(29)26-34)46-43(47-40)31-13-5-2-6-14-31;1-3-10-25(11-4-1)34-30-16-7-8-17-32(30)38-36(39-34)29-15-9-14-27(22-29)28-19-18-24-20-21-33-35(31(24)23-28)40-37(41-33)26-12-5-2-6-13-26/h2*1-28H;1-27H;1-23H
InChIKeyAEHSHVUDJXKNFI-UHFFFAOYSA-N
MW2449.06 g/mol
LogP45.06
Rot. Bonds21

About 8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole

8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole (PubChem CID 157087947) has the molecular formula C168H106N14S4 and a molecular weight of 2449.06 g/mol. Its IUPAC name is 8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole.

Molecular Properties

Compound Name8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole
PubChem CID157087947
Molecular FormulaC168H106N14S4
Molecular Weight2449.06 g/mol
Exact Mass2446.76
IUPAC Name8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3cccc(-c4ccc5ccc6sc(-c7ccccc7)nc6c5c4)c3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6ccc7sc(-c8ccccc8)nc7c6c5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6ccc7sc(-c8ccccc8)nc7c6c5)c4)n3)c2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5cccc(-c6nc(-c7ccccc7)c7ccccc7n6)c5)cc43)s2)cc1
InChIInChI=1S/2C44H28N4S.C43H27N3S.C37H23N3S/c1-4-12-29(13-5-1)33-18-10-20-36(26-33)42-46-41(31-14-6-2-7-15-31)47-43(48-42)37-21-11-19-34(27-37)35-23-22-30-24-25-39-40(38(30)28-35)45-44(49-39)32-16-8-3-9-17-32;1-4-11-29(12-5-1)30-19-22-33(23-20-30)42-46-41(32-13-6-2-7-14-32)47-43(48-42)37-18-10-17-35(27-37)36-24-21-31-25-26-39-40(38(31)28-36)45-44(49-39)34-15-8-3-9-16-34;1-3-11-30(12-4-1)38-27-39(35-21-18-28-10-7-8-15-32(28)24-35)45-42(44-38)36-17-9-16-33(25-36)34-20-19-29-22-23-40-41(37(29)26-34)46-43(47-40)31-13-5-2-6-14-31;1-3-10-25(11-4-1)34-30-16-7-8-17-32(30)38-36(39-34)29-15-9-14-27(22-29)28-19-18-24-20-21-33-35(31(24)23-28)40-37(41-33)26-12-5-2-6-13-26/h2*1-28H;1-27H;1-23H
InChIKeyAEHSHVUDJXKNFI-UHFFFAOYSA-N
XLogP45.06
TPSA180.46 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002449.06
LogP ≤ 545.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole?
The IUPAC name of 8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole (CID 157087947) is 8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole.
What is the SMILES notation for 8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole?
The canonical SMILES for 8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole is c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3cccc(-c4ccc5ccc6sc(-c7ccccc7)nc6c5c4)c3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6ccc7sc(-c8ccccc8)nc7c6c5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6ccc7sc(-c8ccccc8)nc7c6c5)c4)n3)c2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5cccc(-c6nc(-c7ccccc7)c7ccccc7n6)c5)cc43)s2)cc1.
What is the InChIKey of 8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole?
The InChIKey is AEHSHVUDJXKNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H28N4S.C43H27N3S.C37H23N3S/c1-4-12-29(13-5-1)33-18-10-20-36(26-33)42-46-41(31-14-6-2-7-15-31)47-43(48-42)37-21-11-19-34(27-37)35-23-22-30-24-25-39-40(38(30)28-35)45-44(49-39)32-16-8-3-9-17-32;1-4-11-29(12-5-1)30-19-22-33(23-20-30)42-46-41(32-13-6-2-7-14-32)47-43(48-42)37-18-10-17-35(27-37)36-24-21-31-25-26-39-40(38(31)28-36)45-44(49-39)34-15-8-3-9-16-34;1-3-11-30(12-4-1)38-27-39(35-21-18-28-10-7-8-15-32(28)24-35)45-42(44-38)36-17-9-16-33(25-36)34-20-19-29-22-23-40-41(37(29)26-34)46-43(47-40)31-13-5-2-6-14-31;1-3-10-25(11-4-1)34-30-16-7-8-17-32(30)38-36(39-34)29-15-9-14-27(22-29)28-19-18-24-20-21-33-35(31(24)23-28)40-37(41-33)26-12-5-2-6-13-26/h2*1-28H;1-27H;1-23H.
What are the key properties of 8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole?
8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole has a molecular weight of 2449.06 g/mol, XLogP of 45.06, 21 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole is sourced from PubChem (CID 157087947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).