4-tert-butyl-2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;(1R,7S)-4-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;2-[2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]triazol-4-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole

C201H194N12O4S — CID 161372796

About 4-tert-butyl-2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;(1R,7S)-4-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;2-[2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]triazol-4-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole

4-tert-butyl-2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;(1R,7S)-4-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;2-[2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]triazol-4-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole (PubChem CID 161372796) has the molecular formula C201H194N12O4S and a molecular weight of 2873.91 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;(1R,7S)-4-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;2-[2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]triazol-4-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;(1R,7S)-4-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;2-[2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]triazol-4-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole
• PubChem CID: 161372796
• Molecular Formula: C201H194N12O4S
• Molecular Weight: 2873.91 g/mol
• Exact Mass: 2871.51
• IUPAC Name: 4-tert-butyl-2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;(1R,7S)-4-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;2-[2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]triazol-4-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole
• SMILES: CC(C)(C)c1ccc2c(c1)C(c1cccc(Oc3cccc(-n4cc5c(n4)[C@@H]4CC[C@H]5C4)c3)c1)(c1ccccn1)c1cc(C(C)(C)C)ccc1-2.CC(C)(C)c1ccc2c(c1)C(c1cccc(Oc3cccc(-n4ncc(-c5ccccn5)n4)c3)c1)(c1ccccn1)c1cc(C(C)(C)C)ccc1-2.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5cc(C(C)(C)C)ccc5-c5ccc(C(C)(C)C)cc54)c3)cc(-c3cc(C(C)(C)C)ccn3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5cc(C(C)(C)C)ccc5-c5ccc(C(C)(C)C)cc54)c3)cc(-c3nc4ccccc4s3)c2)c(C)c1
• InChI: InChI=1S/C56H58N2O.C54H50N2OS.C46H45N3O.C45H41N5O/c1-35-26-36(2)52(37(3)27-35)39-28-38(50-34-42(23-25-57-50)55(10,11)12)29-45(30-39)59-44-17-15-16-43(31-44)56(51-18-13-14-24-58-51)48-32-40(53(4,5)6)19-21-46(48)47-22-20-41(33-49(47)56)54(7,8)9;1-33-25-34(2)50(35(3)26-33)36-27-37(51-56-47-17-10-11-18-48(47)58-51)29-42(28-36)57-41-16-14-15-40(30-41)54(49-19-12-13-24-55-49)45-31-38(52(4,5)6)20-22-43(45)44-23-21-39(32-46(44)54)53(7,8)9;1-44(2,3)31-18-20-37-38-21-19-32(45(4,5)6)26-41(38)46(40(37)25-31,42-15-7-8-22-47-42)33-11-9-13-35(24-33)50-36-14-10-12-34(27-36)49-28-39-29-16-17-30(23-29)43(39)48-49;1-43(2,3)30-19-21-36-37-22-20-31(44(4,5)6)27-39(37)45(38(36)26-30,42-18-8-10-24-47-42)32-13-11-15-34(25-32)51-35-16-12-14-33(28-35)50-48-29-41(49-50)40-17-7-9-23-46-40/h13-34H,1-12H3;10-32H,1-9H3;7-15,18-22,24-30H,16-17,23H2,1-6H3;7-29H,1-6H3/t;;29-,30+;/m..0./s1
• InChIKey: VQRLNEAIOQDBGF-AHKJECPJSA-N
• XLogP: 51.34
• TPSA: 175.68 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2873.91
LogP ≤ 5	51.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;(1R,7S)-4-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;2-[2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]triazol-4-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole?

The IUPAC name of 4-tert-butyl-2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;(1R,7S)-4-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;2-[2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]triazol-4-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole (CID 161372796) is 4-tert-butyl-2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;(1R,7S)-4-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;2-[2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]triazol-4-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole.

What is the SMILES notation for 4-tert-butyl-2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;(1R,7S)-4-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;2-[2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]triazol-4-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole?

The canonical SMILES for 4-tert-butyl-2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;(1R,7S)-4-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;2-[2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]triazol-4-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole is CC(C)(C)c1ccc2c(c1)C(c1cccc(Oc3cccc(-n4cc5c(n4)[C@@H]4CC[C@H]5C4)c3)c1)(c1ccccn1)c1cc(C(C)(C)C)ccc1-2.CC(C)(C)c1ccc2c(c1)C(c1cccc(Oc3cccc(-n4ncc(-c5ccccn5)n4)c3)c1)(c1ccccn1)c1cc(C(C)(C)C)ccc1-2.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5cc(C(C)(C)C)ccc5-c5ccc(C(C)(C)C)cc54)c3)cc(-c3cc(C(C)(C)C)ccn3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5cc(C(C)(C)C)ccc5-c5ccc(C(C)(C)C)cc54)c3)cc(-c3nc4ccccc4s3)c2)c(C)c1.

What is the InChIKey of 4-tert-butyl-2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;(1R,7S)-4-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;2-[2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]triazol-4-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole?

The InChIKey is VQRLNEAIOQDBGF-AHKJECPJSA-N. The full InChI is InChI=1S/C56H58N2O.C54H50N2OS.C46H45N3O.C45H41N5O/c1-35-26-36(2)52(37(3)27-35)39-28-38(50-34-42(23-25-57-50)55(10,11)12)29-45(30-39)59-44-17-15-16-43(31-44)56(51-18-13-14-24-58-51)48-32-40(53(4,5)6)19-21-46(48)47-22-20-41(33-49(47)56)54(7,8)9;1-33-25-34(2)50(35(3)26-33)36-27-37(51-56-47-17-10-11-18-48(47)58-51)29-42(28-36)57-41-16-14-15-40(30-41)54(49-19-12-13-24-55-49)45-31-38(52(4,5)6)20-22-43(45)44-23-21-39(32-46(44)54)53(7,8)9;1-44(2,3)31-18-20-37-38-21-19-32(45(4,5)6)26-41(38)46(40(37)25-31,42-15-7-8-22-47-42)33-11-9-13-35(24-33)50-36-14-10-12-34(27-36)49-28-39-29-16-17-30(23-29)43(39)48-49;1-43(2,3)30-19-21-36-37-22-20-31(44(4,5)6)27-39(37)45(38(36)26-30,42-18-8-10-24-47-42)32-13-11-15-34(25-32)51-35-16-12-14-33(28-35)50-48-29-41(49-50)40-17-7-9-23-46-40/h13-34H,1-12H3;10-32H,1-9H3;7-15,18-22,24-30H,16-17,23H2,1-6H3;7-29H,1-6H3/t;;29-,30+;/m..0./s1.

What are the key properties of 4-tert-butyl-2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;(1R,7S)-4-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;2-[2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]triazol-4-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole?

4-tert-butyl-2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;(1R,7S)-4-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;2-[2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]triazol-4-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole has a molecular weight of 2873.91 g/mol, XLogP of 51.34, 23 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;(1R,7S)-4-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;2-[2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]triazol-4-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole is sourced from PubChem (CID 161372796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).