2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3-benzoxazole

C186H120N8O8 — CID 164962226

About 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3-benzoxazole

2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3-benzoxazole (PubChem CID 164962226) has the molecular formula C186H120N8O8 and a molecular weight of 2595.05 g/mol. Its IUPAC name is 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3-benzoxazole
• PubChem CID: 164962226
• Molecular Formula: C186H120N8O8
• Molecular Weight: 2595.05 g/mol
• Exact Mass: 2592.92
• IUPAC Name: 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3-benzoxazole
• SMILES: CC1(C)c2ccc(-c3cccc(-c4cc(-c5nc6ccccc6o5)cc(-c5nc6ccccc6o5)c4)c3)cc2-c2c1ccc1ccccc21.CC1(C)c2ccc(-c3cccc(-c4cc(-c5nc6ccccc6o5)cc(-c5nc6ccccc6o5)c4)c3)cc2-c2cc3ccccc3cc21.CC1(C)c2ccc(-c3cccc(-c4cc(-c5nc6ccccc6o5)cc(-c5nc6ccccc6o5)c4)c3)cc2-c2ccc3ccccc3c21.c1cc(-c2cc(-c3nc4ccccc4o3)cc(-c3nc4ccccc4o3)c2)cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c1
• InChI: InChI=1S/C51H30N2O2.3C45H30N2O2/c1-4-17-41-37(14-1)38-15-2-5-18-42(38)51(41)43-19-6-3-16-39(43)40-30-33(24-25-44(40)51)31-12-11-13-32(26-31)34-27-35(49-52-45-20-7-9-22-47(45)54-49)29-36(28-34)50-53-46-21-8-10-23-48(46)55-50;1-45(2)36-20-19-30(26-35(36)42-34-13-4-3-10-27(34)18-21-37(42)45)28-11-9-12-29(22-28)31-23-32(43-46-38-14-5-7-16-40(38)48-43)25-33(24-31)44-47-39-15-6-8-17-41(39)49-44;1-45(2)37-21-19-30(26-36(37)35-20-18-27-10-3-4-13-34(27)42(35)45)28-11-9-12-29(22-28)31-23-32(43-46-38-14-5-7-16-40(38)48-43)25-33(24-31)44-47-39-15-6-8-17-41(39)49-44;1-45(2)37-19-18-31(25-35(37)36-24-29-10-3-4-11-30(29)26-38(36)45)27-12-9-13-28(20-27)32-21-33(43-46-39-14-5-7-16-41(39)48-43)23-34(22-32)44-47-40-15-6-8-17-42(40)49-44/h1-30H;3*3-26H,1-2H3
• InChIKey: BZNUVZINLGHIHG-UHFFFAOYSA-N
• XLogP: 49.27
• TPSA: 208.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2595.05
LogP ≤ 5	49.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3-benzoxazole?

The IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3-benzoxazole (CID 164962226) is 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3-benzoxazole.

What is the SMILES notation for 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3-benzoxazole?

The canonical SMILES for 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3-benzoxazole is CC1(C)c2ccc(-c3cccc(-c4cc(-c5nc6ccccc6o5)cc(-c5nc6ccccc6o5)c4)c3)cc2-c2c1ccc1ccccc21.CC1(C)c2ccc(-c3cccc(-c4cc(-c5nc6ccccc6o5)cc(-c5nc6ccccc6o5)c4)c3)cc2-c2cc3ccccc3cc21.CC1(C)c2ccc(-c3cccc(-c4cc(-c5nc6ccccc6o5)cc(-c5nc6ccccc6o5)c4)c3)cc2-c2ccc3ccccc3c21.c1cc(-c2cc(-c3nc4ccccc4o3)cc(-c3nc4ccccc4o3)c2)cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c1.

What is the InChIKey of 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3-benzoxazole?

The InChIKey is BZNUVZINLGHIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N2O2.3C45H30N2O2/c1-4-17-41-37(14-1)38-15-2-5-18-42(38)51(41)43-19-6-3-16-39(43)40-30-33(24-25-44(40)51)31-12-11-13-32(26-31)34-27-35(49-52-45-20-7-9-22-47(45)54-49)29-36(28-34)50-53-46-21-8-10-23-48(46)55-50;1-45(2)36-20-19-30(26-35(36)42-34-13-4-3-10-27(34)18-21-37(42)45)28-11-9-12-29(22-28)31-23-32(43-46-38-14-5-7-16-40(38)48-43)25-33(24-31)44-47-39-15-6-8-17-41(39)49-44;1-45(2)37-21-19-30(26-36(37)35-20-18-27-10-3-4-13-34(27)42(35)45)28-11-9-12-29(22-28)31-23-32(43-46-38-14-5-7-16-40(38)48-43)25-33(24-31)44-47-39-15-6-8-17-41(39)49-44;1-45(2)37-19-18-31(25-35(37)36-24-29-10-3-4-11-30(29)26-38(36)45)27-12-9-13-28(20-27)32-21-33(43-46-39-14-5-7-16-41(39)48-43)23-34(22-32)44-47-40-15-6-8-17-42(40)49-44/h1-30H;3*3-26H,1-2H3.

What are the key properties of 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3-benzoxazole?

2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3-benzoxazole has a molecular weight of 2595.05 g/mol, XLogP of 49.27, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 164962226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).