4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]xanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole

C191H162N12O8S — CID 160782943

About 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]xanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole

4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]xanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole (PubChem CID 160782943) has the molecular formula C191H162N12O8S and a molecular weight of 2785.54 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]xanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]xanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole
• PubChem CID: 160782943
• Molecular Formula: C191H162N12O8S
• Molecular Weight: 2785.54 g/mol
• Exact Mass: 2783.24
• IUPAC Name: 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]xanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole
• SMILES: CC(C)c1cccc(C(C)C)c1-c1cn(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5Oc5ccccc54)c3)c2)nn1.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Oc5ccccc54)c3)cc(-c3cc(C(C)(C)C)ccn3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Oc5ccccc54)c3)cc(-c3nc4ccccc4s3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Oc5ccccc54)c3)cc(-n3cc(-c4c(C(C)C)cccc4C(C)C)nn3)c2)c(C)c1
• InChI: InChI=1S/C53H48N4O2.C48H42N2O2.C46H34N2O2S.C44H38N4O2/c1-33(2)43-18-15-19-44(34(3)4)52(43)47-32-57(56-55-47)40-28-38(51-36(6)26-35(5)27-37(51)7)29-42(31-40)58-41-17-14-16-39(30-41)53(50-24-12-13-25-54-50)45-20-8-10-22-48(45)59-49-23-11-9-21-46(49)53;1-31-24-32(2)46(33(3)25-31)35-26-34(42-30-36(21-23-49-42)47(4,5)6)27-39(28-35)51-38-15-13-14-37(29-38)48(45-20-11-12-22-50-45)40-16-7-9-18-43(40)52-44-19-10-8-17-41(44)48;1-29-23-30(2)44(31(3)24-29)32-25-33(45-48-39-17-6-9-20-42(39)51-45)27-36(26-32)49-35-14-12-13-34(28-35)46(43-21-10-11-22-47-43)37-15-4-7-18-40(37)50-41-19-8-5-16-38(41)46;1-29(2)35-18-13-19-36(30(3)4)43(35)39-28-48(47-46-39)32-15-12-17-34(27-32)49-33-16-11-14-31(26-33)44(42-24-9-10-25-45-42)37-20-5-7-22-40(37)50-41-23-8-6-21-38(41)44/h8-34H,1-7H3;7-30H,1-6H3;4-28H,1-3H3;5-30H,1-4H3
• InChIKey: SAUYTNKZZJBLQA-UHFFFAOYSA-N
• XLogP: 48.85
• TPSA: 212.60 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 29
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2785.54
LogP ≤ 5	48.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]xanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole?

The IUPAC name of 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]xanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole (CID 160782943) is 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]xanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole.

What is the SMILES notation for 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]xanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole?

The canonical SMILES for 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]xanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole is CC(C)c1cccc(C(C)C)c1-c1cn(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5Oc5ccccc54)c3)c2)nn1.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Oc5ccccc54)c3)cc(-c3cc(C(C)(C)C)ccn3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Oc5ccccc54)c3)cc(-c3nc4ccccc4s3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Oc5ccccc54)c3)cc(-n3cc(-c4c(C(C)C)cccc4C(C)C)nn3)c2)c(C)c1.

What is the InChIKey of 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]xanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole?

The InChIKey is SAUYTNKZZJBLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H48N4O2.C48H42N2O2.C46H34N2O2S.C44H38N4O2/c1-33(2)43-18-15-19-44(34(3)4)52(43)47-32-57(56-55-47)40-28-38(51-36(6)26-35(5)27-37(51)7)29-42(31-40)58-41-17-14-16-39(30-41)53(50-24-12-13-25-54-50)45-20-8-10-22-48(45)59-49-23-11-9-21-46(49)53;1-31-24-32(2)46(33(3)25-31)35-26-34(42-30-36(21-23-49-42)47(4,5)6)27-39(28-35)51-38-15-13-14-37(29-38)48(45-20-11-12-22-50-45)40-16-7-9-18-43(40)52-44-19-10-8-17-41(44)48;1-29-23-30(2)44(31(3)24-29)32-25-33(45-48-39-17-6-9-20-42(39)51-45)27-36(26-32)49-35-14-12-13-34(28-35)46(43-21-10-11-22-47-43)37-15-4-7-18-40(37)50-41-19-8-5-16-38(41)46;1-29(2)35-18-13-19-36(30(3)4)43(35)39-28-48(47-46-39)32-15-12-17-34(27-32)49-33-16-11-14-31(26-33)44(42-24-9-10-25-45-42)37-20-5-7-22-40(37)50-41-23-8-6-21-38(41)44/h8-34H,1-7H3;7-30H,1-6H3;4-28H,1-3H3;5-30H,1-4H3.

What are the key properties of 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]xanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole?

4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]xanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole has a molecular weight of 2785.54 g/mol, XLogP of 48.85, 29 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]xanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole is sourced from PubChem (CID 160782943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).