2-[3-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[3-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole

C192H120N16O8 — CID 161158216

About 2-[3-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[3-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole

2-[3-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[3-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole (PubChem CID 161158216) has the molecular formula C192H120N16O8 and a molecular weight of 2779.18 g/mol. Its IUPAC name is 2-[3-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[3-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-[3-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[3-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole
• PubChem CID: 161158216
• Molecular Formula: C192H120N16O8
• Molecular Weight: 2779.18 g/mol
• Exact Mass: 2776.95
• IUPAC Name: 2-[3-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[3-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole
• SMILES: c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)cc3)c(-c3ccc(-c4cccc(-c5nc6ccccc6o5)c4)cc3)n2)nc1.c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)cc3)c(-c3cccc(-c4ccc(-c5nc6ccccc6o5)cc4)c3)n2)nc1.c1ccc(-c2ccc(-c3ccc(-c4cccc(-c5nc6ccccc6o5)c4)cc3)c(-c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)cc3)n2)nc1.c1ccc(-c2ccc(-c3cccc(-c4ccc(-c5nc6ccccc6o5)cc4)c3)c(-c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)cc3)n2)nc1
• InChI: InChI=1S/4C48H30N4O2/c1-3-13-44-42(11-1)51-47(53-44)36-25-19-32(20-26-36)31-17-23-35(24-18-31)46-39(27-28-41(50-46)40-10-5-6-29-49-40)34-21-15-33(16-22-34)37-8-7-9-38(30-37)48-52-43-12-2-4-14-45(43)54-48;1-3-13-44-42(11-1)51-47(53-44)36-25-19-32(20-26-36)31-15-21-34(22-16-31)39-27-28-41(40-10-5-6-29-49-40)50-46(39)35-23-17-33(18-24-35)37-8-7-9-38(30-37)48-52-43-12-2-4-14-45(43)54-48;1-3-13-44-42(11-1)51-47(53-44)35-23-17-32(18-24-35)31-15-21-34(22-16-31)46-39(27-28-41(50-46)40-10-5-6-29-49-40)38-9-7-8-37(30-38)33-19-25-36(26-20-33)48-52-43-12-2-4-14-45(43)54-48;1-3-13-44-42(11-1)51-47(53-44)35-23-17-32(18-24-35)31-15-21-34(22-16-31)39-27-28-41(40-10-5-6-29-49-40)50-46(39)38-9-7-8-37(30-38)33-19-25-36(26-20-33)48-52-43-12-2-4-14-45(43)54-48/h4*1-30H
• InChIKey: UPOPZHHGWGUFRO-UHFFFAOYSA-N
• XLogP: 49.71
• TPSA: 311.36 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2779.18
LogP ≤ 5	49.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[3-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole?

The IUPAC name of 2-[3-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[3-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole (CID 161158216) is 2-[3-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[3-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole.

What is the SMILES notation for 2-[3-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[3-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole?

The canonical SMILES for 2-[3-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[3-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole is c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)cc3)c(-c3ccc(-c4cccc(-c5nc6ccccc6o5)c4)cc3)n2)nc1.c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)cc3)c(-c3cccc(-c4ccc(-c5nc6ccccc6o5)cc4)c3)n2)nc1.c1ccc(-c2ccc(-c3ccc(-c4cccc(-c5nc6ccccc6o5)c4)cc3)c(-c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)cc3)n2)nc1.c1ccc(-c2ccc(-c3cccc(-c4ccc(-c5nc6ccccc6o5)cc4)c3)c(-c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)cc3)n2)nc1.

What is the InChIKey of 2-[3-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[3-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole?

The InChIKey is UPOPZHHGWGUFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C48H30N4O2/c1-3-13-44-42(11-1)51-47(53-44)36-25-19-32(20-26-36)31-17-23-35(24-18-31)46-39(27-28-41(50-46)40-10-5-6-29-49-40)34-21-15-33(16-22-34)37-8-7-9-38(30-37)48-52-43-12-2-4-14-45(43)54-48;1-3-13-44-42(11-1)51-47(53-44)36-25-19-32(20-26-36)31-15-21-34(22-16-31)39-27-28-41(40-10-5-6-29-49-40)50-46(39)35-23-17-33(18-24-35)37-8-7-9-38(30-37)48-52-43-12-2-4-14-45(43)54-48;1-3-13-44-42(11-1)51-47(53-44)35-23-17-32(18-24-35)31-15-21-34(22-16-31)46-39(27-28-41(50-46)40-10-5-6-29-49-40)38-9-7-8-37(30-38)33-19-25-36(26-20-33)48-52-43-12-2-4-14-45(43)54-48;1-3-13-44-42(11-1)51-47(53-44)35-23-17-32(18-24-35)31-15-21-34(22-16-31)39-27-28-41(40-10-5-6-29-49-40)50-46(39)38-9-7-8-37(30-38)33-19-25-36(26-20-33)48-52-43-12-2-4-14-45(43)54-48/h4*1-30H.

What are the key properties of 2-[3-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[3-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole?

2-[3-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[3-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole has a molecular weight of 2779.18 g/mol, XLogP of 49.71, 28 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[3-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 161158216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).