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

C214H144N8O8 — CID 165005855

IUPAC2-[3-(1,3-benzoxazol-2-yl)-5-[3-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-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-(11,11-diphenylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-diphenylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3cc(-c4cccc(-c5cc(-c6nc7ccccc7o6)cc(-c6nc7ccccc7o6)c5)c4)ccc31)c1cc(C(C)(C)C)ccc1-2.CC1(C)c2ccc(-c3cccc(-c4cc(-c5nc6ccccc6o5)cc(-c5nc6ccccc6o5)c4)c3)cc2-c2c1ccc1ccccc21.c1ccc(C2(c3ccccc3)c3ccc(-c4cccc(-c5cc(-c6nc7ccccc7o6)cc(-c6nc7ccccc7o6)c5)c4)cc3-c3cc4ccccc4cc32)cc1.c1ccc(C2(c3ccccc3)c3ccc(-c4cccc(-c5cc(-c6nc7ccccc7o6)cc(-c6nc7ccccc7o6)c5)c4)cc3-c3ccc4ccccc4c32)cc1
InChIInChI=1S/C59H46N2O2.2C55H34N2O2.C45H30N2O2/c1-57(2,3)41-23-25-44-45-26-24-42(58(4,5)6)34-50(45)59(49(44)33-41)47-17-8-7-16-43(47)46-32-37(22-27-48(46)59)35-14-13-15-36(28-35)38-29-39(55-60-51-18-9-11-20-53(51)62-55)31-40(30-38)56-61-52-19-10-12-21-54(52)63-56;1-3-17-42(18-4-1)55(43-19-5-2-6-20-43)47-29-27-38(34-46(47)45-28-26-35-14-7-8-21-44(35)52(45)55)36-15-13-16-37(30-36)39-31-40(53-56-48-22-9-11-24-50(48)58-53)33-41(32-39)54-57-49-23-10-12-25-51(49)59-54;1-3-18-43(19-4-1)55(44-20-5-2-6-21-44)47-27-26-39(33-45(47)46-32-37-14-7-8-15-38(37)34-48(46)55)35-16-13-17-36(28-35)40-29-41(53-56-49-22-9-11-24-51(49)58-53)31-42(30-40)54-57-50-23-10-12-25-52(50)59-54;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/h7-34H,1-6H3;2*1-34H;3-26H,1-2H3
InChIKeyIYIARGXLTZYHAT-UHFFFAOYSA-N
MW2955.55 g/mol
LogP55.98
Rot. Bonds20

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

2-[3-(1,3-benzoxazol-2-yl)-5-[3-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-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-(11,11-diphenylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-diphenylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole (PubChem CID 165005855) has the molecular formula C214H144N8O8 and a molecular weight of 2955.55 g/mol. Its IUPAC name is 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-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-(11,11-diphenylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-diphenylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-(1,3-benzoxazol-2-yl)-5-[3-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-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-(11,11-diphenylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-diphenylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole
PubChem CID165005855
Molecular FormulaC214H144N8O8
Molecular Weight2955.55 g/mol
Exact Mass2953.11
IUPAC Name2-[3-(1,3-benzoxazol-2-yl)-5-[3-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-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-(11,11-diphenylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-diphenylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3cc(-c4cccc(-c5cc(-c6nc7ccccc7o6)cc(-c6nc7ccccc7o6)c5)c4)ccc31)c1cc(C(C)(C)C)ccc1-2.CC1(C)c2ccc(-c3cccc(-c4cc(-c5nc6ccccc6o5)cc(-c5nc6ccccc6o5)c4)c3)cc2-c2c1ccc1ccccc21.c1ccc(C2(c3ccccc3)c3ccc(-c4cccc(-c5cc(-c6nc7ccccc7o6)cc(-c6nc7ccccc7o6)c5)c4)cc3-c3cc4ccccc4cc32)cc1.c1ccc(C2(c3ccccc3)c3ccc(-c4cccc(-c5cc(-c6nc7ccccc7o6)cc(-c6nc7ccccc7o6)c5)c4)cc3-c3ccc4ccccc4c32)cc1
InChIInChI=1S/C59H46N2O2.2C55H34N2O2.C45H30N2O2/c1-57(2,3)41-23-25-44-45-26-24-42(58(4,5)6)34-50(45)59(49(44)33-41)47-17-8-7-16-43(47)46-32-37(22-27-48(46)59)35-14-13-15-36(28-35)38-29-39(55-60-51-18-9-11-20-53(51)62-55)31-40(30-38)56-61-52-19-10-12-21-54(52)63-56;1-3-17-42(18-4-1)55(43-19-5-2-6-20-43)47-29-27-38(34-46(47)45-28-26-35-14-7-8-21-44(35)52(45)55)36-15-13-16-37(30-36)39-31-40(53-56-48-22-9-11-24-50(48)58-53)33-41(32-39)54-57-49-23-10-12-25-51(49)59-54;1-3-18-43(19-4-1)55(44-20-5-2-6-21-44)47-27-26-39(33-45(47)46-32-37-14-7-8-15-38(37)34-48(46)55)35-16-13-17-36(28-35)40-29-41(53-56-49-22-9-11-24-51(49)58-53)31-42(30-40)54-57-50-23-10-12-25-52(50)59-54;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/h7-34H,1-6H3;2*1-34H;3-26H,1-2H3
InChIKeyIYIARGXLTZYHAT-UHFFFAOYSA-N
XLogP55.98
TPSA208.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms230
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002955.55
LogP ≤ 555.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-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-(11,11-diphenylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-diphenylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-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-(11,11-diphenylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-diphenylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-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-(11,11-diphenylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-diphenylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole (CID 165005855) is 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-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-(11,11-diphenylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-diphenylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-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-(11,11-diphenylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-diphenylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-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-(11,11-diphenylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-diphenylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3cc(-c4cccc(-c5cc(-c6nc7ccccc7o6)cc(-c6nc7ccccc7o6)c5)c4)ccc31)c1cc(C(C)(C)C)ccc1-2.CC1(C)c2ccc(-c3cccc(-c4cc(-c5nc6ccccc6o5)cc(-c5nc6ccccc6o5)c4)c3)cc2-c2c1ccc1ccccc21.c1ccc(C2(c3ccccc3)c3ccc(-c4cccc(-c5cc(-c6nc7ccccc7o6)cc(-c6nc7ccccc7o6)c5)c4)cc3-c3cc4ccccc4cc32)cc1.c1ccc(C2(c3ccccc3)c3ccc(-c4cccc(-c5cc(-c6nc7ccccc7o6)cc(-c6nc7ccccc7o6)c5)c4)cc3-c3ccc4ccccc4c32)cc1.
What is the InChIKey of 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-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-(11,11-diphenylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-diphenylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole?
The InChIKey is IYIARGXLTZYHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H46N2O2.2C55H34N2O2.C45H30N2O2/c1-57(2,3)41-23-25-44-45-26-24-42(58(4,5)6)34-50(45)59(49(44)33-41)47-17-8-7-16-43(47)46-32-37(22-27-48(46)59)35-14-13-15-36(28-35)38-29-39(55-60-51-18-9-11-20-53(51)62-55)31-40(30-38)56-61-52-19-10-12-21-54(52)63-56;1-3-17-42(18-4-1)55(43-19-5-2-6-20-43)47-29-27-38(34-46(47)45-28-26-35-14-7-8-21-44(35)52(45)55)36-15-13-16-37(30-36)39-31-40(53-56-48-22-9-11-24-50(48)58-53)33-41(32-39)54-57-49-23-10-12-25-51(49)59-54;1-3-18-43(19-4-1)55(44-20-5-2-6-21-44)47-27-26-39(33-45(47)46-32-37-14-7-8-15-38(37)34-48(46)55)35-16-13-17-36(28-35)40-29-41(53-56-49-22-9-11-24-51(49)58-53)31-42(30-40)54-57-50-23-10-12-25-52(50)59-54;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/h7-34H,1-6H3;2*1-34H;3-26H,1-2H3.
What are the key properties of 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-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-(11,11-diphenylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-diphenylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole?
2-[3-(1,3-benzoxazol-2-yl)-5-[3-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-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-(11,11-diphenylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-diphenylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole has a molecular weight of 2955.55 g/mol, XLogP of 55.98, 20 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-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-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-(11,11-diphenylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-diphenylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 165005855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).