2-[3-[6-[3-(1,3-benzothiazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-dinaphthalen-2-yl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[4-[3,5-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole;2-[3-[3,5-diphenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole

C255H163N19O4S2 — CID 157124988

About 2-[3-[6-[3-(1,3-benzothiazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-dinaphthalen-2-yl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[4-[3,5-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole;2-[3-[3,5-diphenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole

2-[3-[6-[3-(1,3-benzothiazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-dinaphthalen-2-yl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[4-[3,5-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole;2-[3-[3,5-diphenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole (PubChem CID 157124988) has the molecular formula C255H163N19O4S2 and a molecular weight of 3621.37 g/mol. Its IUPAC name is 2-[3-[6-[3-(1,3-benzothiazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-dinaphthalen-2-yl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[4-[3,5-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole;2-[3-[3,5-diphenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole.

Molecular Properties

• Compound Name: 2-[3-[6-[3-(1,3-benzothiazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-dinaphthalen-2-yl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[4-[3,5-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole;2-[3-[3,5-diphenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole
• PubChem CID: 157124988
• Molecular Formula: C255H163N19O4S2
• Molecular Weight: 3621.37 g/mol
• Exact Mass: 3618.26
• IUPAC Name: 2-[3-[6-[3-(1,3-benzothiazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-dinaphthalen-2-yl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[4-[3,5-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole;2-[3-[3,5-diphenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)c(-c3cccc(-c4nc5ccccc5n4-c4ccccc4)c3)nc2-c2cccc(-c3nc4ccccc4n3-c3ccccc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)c(-c3cccc(-c4nc5ccccc5o4)c3)nc2-c2cccc(-c3nc4ccccc4o3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)c(-c3cccc(-c4nc5ccccc5s4)c3)nc2-c2cccc(-c3nc4ccccc4s3)c2)cc1.c1ccc(-n2c(-c3ccc(-c4nc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c(-c5ccc6ccccc6c5)cc4-c4ccc5ccccc5c4)cc3)nc3ccccc32)cc1.c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)c(-c4ccc(-c5nc6ccccc6o5)cc4)nc3-c3ccc(-c4nc5ccccc5o4)cc3)ccc2c1
• InChI: InChI=1S/C63H41N5.C55H37N5.C51H31N3O2.C43H27N3O2.C43H27N3S2/c1-3-19-52(20-4-1)67-58-25-13-11-23-56(58)64-62(67)46-33-29-44(30-34-46)60-54(50-37-27-42-15-7-9-17-48(42)39-50)41-55(51-38-28-43-16-8-10-18-49(43)40-51)61(66-60)45-31-35-47(36-32-45)63-65-57-24-12-14-26-59(57)68(63)53-21-5-2-6-22-53;1-5-19-38(20-6-1)46-37-47(39-21-7-2-8-22-39)53(41-24-18-26-43(36-41)55-57-49-32-14-16-34-51(49)60(55)45-29-11-4-12-30-45)58-52(46)40-23-17-25-42(35-40)54-56-48-31-13-15-33-50(48)59(54)44-27-9-3-10-28-44;1-3-11-38-29-40(27-17-32(38)9-1)42-31-43(41-28-18-33-10-2-4-12-39(33)30-41)49(35-21-25-37(26-22-35)51-53-45-14-6-8-16-47(45)56-51)54-48(42)34-19-23-36(24-20-34)50-52-44-13-5-7-15-46(44)55-50;2*1-3-13-28(14-4-1)34-27-35(29-15-5-2-6-16-29)41(31-18-12-20-33(26-31)43-45-37-22-8-10-24-39(37)48-43)46-40(34)30-17-11-19-32(25-30)42-44-36-21-7-9-23-38(36)47-42/h1-41H;1-37H;1-31H;2*1-27H
• InChIKey: AIKCOKYLTMNVCF-UHFFFAOYSA-N
• XLogP: 67.17
• TPSA: 265.63 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 34
• Heavy Atoms: 280
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3621.37
LogP ≤ 5	67.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[3-(1,3-benzothiazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-dinaphthalen-2-yl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[4-[3,5-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole;2-[3-[3,5-diphenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole?

The IUPAC name of 2-[3-[6-[3-(1,3-benzothiazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-dinaphthalen-2-yl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[4-[3,5-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole;2-[3-[3,5-diphenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole (CID 157124988) is 2-[3-[6-[3-(1,3-benzothiazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-dinaphthalen-2-yl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[4-[3,5-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole;2-[3-[3,5-diphenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole.

What is the SMILES notation for 2-[3-[6-[3-(1,3-benzothiazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-dinaphthalen-2-yl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[4-[3,5-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole;2-[3-[3,5-diphenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole?

The canonical SMILES for 2-[3-[6-[3-(1,3-benzothiazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-dinaphthalen-2-yl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[4-[3,5-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole;2-[3-[3,5-diphenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole is c1ccc(-c2cc(-c3ccccc3)c(-c3cccc(-c4nc5ccccc5n4-c4ccccc4)c3)nc2-c2cccc(-c3nc4ccccc4n3-c3ccccc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)c(-c3cccc(-c4nc5ccccc5o4)c3)nc2-c2cccc(-c3nc4ccccc4o3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)c(-c3cccc(-c4nc5ccccc5s4)c3)nc2-c2cccc(-c3nc4ccccc4s3)c2)cc1.c1ccc(-n2c(-c3ccc(-c4nc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c(-c5ccc6ccccc6c5)cc4-c4ccc5ccccc5c4)cc3)nc3ccccc32)cc1.c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)c(-c4ccc(-c5nc6ccccc6o5)cc4)nc3-c3ccc(-c4nc5ccccc5o4)cc3)ccc2c1.

What is the InChIKey of 2-[3-[6-[3-(1,3-benzothiazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-dinaphthalen-2-yl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[4-[3,5-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole;2-[3-[3,5-diphenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole?

The InChIKey is AIKCOKYLTMNVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5.C55H37N5.C51H31N3O2.C43H27N3O2.C43H27N3S2/c1-3-19-52(20-4-1)67-58-25-13-11-23-56(58)64-62(67)46-33-29-44(30-34-46)60-54(50-37-27-42-15-7-9-17-48(42)39-50)41-55(51-38-28-43-16-8-10-18-49(43)40-51)61(66-60)45-31-35-47(36-32-45)63-65-57-24-12-14-26-59(57)68(63)53-21-5-2-6-22-53;1-5-19-38(20-6-1)46-37-47(39-21-7-2-8-22-39)53(41-24-18-26-43(36-41)55-57-49-32-14-16-34-51(49)60(55)45-29-11-4-12-30-45)58-52(46)40-23-17-25-42(35-40)54-56-48-31-13-15-33-50(48)59(54)44-27-9-3-10-28-44;1-3-11-38-29-40(27-17-32(38)9-1)42-31-43(41-28-18-33-10-2-4-12-39(33)30-41)49(35-21-25-37(26-22-35)51-53-45-14-6-8-16-47(45)56-51)54-48(42)34-19-23-36(24-20-34)50-52-44-13-5-7-15-46(44)55-50;2*1-3-13-28(14-4-1)34-27-35(29-15-5-2-6-16-29)41(31-18-12-20-33(26-31)43-45-37-22-8-10-24-39(37)48-43)46-40(34)30-17-11-19-32(25-30)42-44-36-21-7-9-23-38(36)47-42/h1-41H;1-37H;1-31H;2*1-27H.

What are the key properties of 2-[3-[6-[3-(1,3-benzothiazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-dinaphthalen-2-yl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[4-[3,5-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole;2-[3-[3,5-diphenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole?

2-[3-[6-[3-(1,3-benzothiazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-dinaphthalen-2-yl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[4-[3,5-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole;2-[3-[3,5-diphenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole has a molecular weight of 3621.37 g/mol, XLogP of 67.17, 34 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[6-[3-(1,3-benzothiazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzothiazole;2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-dinaphthalen-2-yl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzoxazole;2-[4-[3,5-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole;2-[3-[3,5-diphenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 157124988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).