2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(4-spiro[4a,9a-dihydrothioxanthene-9,9'-fluorene]-2'-ylphenyl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[4-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzoxazole

C231H148N10O4S6 — CID 164975912

About 2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(4-spiro[4a,9a-dihydrothioxanthene-9,9'-fluorene]-2'-ylphenyl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[4-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzoxazole

2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(4-spiro[4a,9a-dihydrothioxanthene-9,9'-fluorene]-2'-ylphenyl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[4-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzoxazole (PubChem CID 164975912) has the molecular formula C231H148N10O4S6 and a molecular weight of 3320.19 g/mol. Its IUPAC name is 2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(4-spiro[4a,9a-dihydrothioxanthene-9,9'-fluorene]-2'-ylphenyl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[4-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(4-spiro[4a,9a-dihydrothioxanthene-9,9'-fluorene]-2'-ylphenyl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[4-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzoxazole
• PubChem CID: 164975912
• Molecular Formula: C231H148N10O4S6
• Molecular Weight: 3320.19 g/mol
• Exact Mass: 3317.00
• IUPAC Name: 2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(4-spiro[4a,9a-dihydrothioxanthene-9,9'-fluorene]-2'-ylphenyl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[4-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzoxazole
• SMILES: C1=CC2C(C=C1)C1(c3ccccc3-c3ccc(-c4cc(-c5ccc(-c6nc7ccccc7s6)cc5)cc(-c5ccc(-c6nc7ccccc7s6)cc5)c4)cc31)c1ccccc1N2c1ccccc1.C1=CC2C(C=C1)C1(c3ccccc3-c3ccc(-c4ccc(-c5cc(-c6nc7ccccc7o6)cc(-c6nc7ccccc7o6)c5)cc4)cc31)c1ccccc1N2c1ccccc1.C1=CC2Sc3ccccc3C3(c4ccccc4-c4ccc(-c5ccc(-c6cc(-c7nc8ccccc8s7)cc(-c7nc8ccccc8s7)c6)cc5)cc43)C2C=C1.CC1(C)c2cc(-c3cc(-c4nc5ccccc5o4)cc(-c4nc5ccccc5o4)c3)ccc2-c2ccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)cc21
• InChI: InChI=1S/C63H41N3S2.C60H38N2O2S.C57H37N3O2.C51H32N2S3/c1-2-14-48(15-3-1)66-57-22-10-6-18-52(57)63(53-19-7-11-23-58(53)66)51-17-5-4-16-49(51)50-35-34-44(39-54(50)63)47-37-45(40-26-30-42(31-27-40)61-64-55-20-8-12-24-59(55)67-61)36-46(38-47)41-28-32-43(33-29-41)62-65-56-21-9-13-25-60(56)68-62;1-59(2)49-33-36(35-25-28-46-44(32-35)41-13-3-4-14-45(41)60(46)47-15-5-11-21-55(47)65-56-22-12-6-16-48(56)60)23-26-42(49)43-27-24-37(34-50(43)59)38-29-39(57-61-51-17-7-9-19-53(51)63-57)31-40(30-38)58-62-52-18-8-10-20-54(52)64-58;1-2-14-42(15-3-1)60-51-22-10-6-18-46(51)57(47-19-7-11-23-52(47)60)45-17-5-4-16-43(45)44-31-30-38(35-48(44)57)36-26-28-37(29-27-36)39-32-40(55-58-49-20-8-12-24-53(49)61-55)34-41(33-39)56-59-50-21-9-13-25-54(50)62-56;1-2-12-39-37(11-1)38-26-25-33(30-42(38)51(39)40-13-3-7-17-45(40)54-46-18-8-4-14-41(46)51)31-21-23-32(24-22-31)34-27-35(49-52-43-15-5-9-19-47(43)55-49)29-36(28-34)50-53-44-16-6-10-20-48(44)56-50/h1-39,52,57H;3-34H,1-2H3;1-35,46,51H;1-30,40,45H
• InChIKey: DTTNLFNFZFXUFN-UHFFFAOYSA-N
• XLogP: 60.91
• TPSA: 162.16 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3320.19
LogP ≤ 5	60.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(4-spiro[4a,9a-dihydrothioxanthene-9,9'-fluorene]-2'-ylphenyl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[4-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzoxazole?

The IUPAC name of 2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(4-spiro[4a,9a-dihydrothioxanthene-9,9'-fluorene]-2'-ylphenyl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[4-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzoxazole (CID 164975912) is 2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(4-spiro[4a,9a-dihydrothioxanthene-9,9'-fluorene]-2'-ylphenyl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[4-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzoxazole.

What is the SMILES notation for 2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(4-spiro[4a,9a-dihydrothioxanthene-9,9'-fluorene]-2'-ylphenyl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[4-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzoxazole?

The canonical SMILES for 2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(4-spiro[4a,9a-dihydrothioxanthene-9,9'-fluorene]-2'-ylphenyl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[4-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzoxazole is C1=CC2C(C=C1)C1(c3ccccc3-c3ccc(-c4cc(-c5ccc(-c6nc7ccccc7s6)cc5)cc(-c5ccc(-c6nc7ccccc7s6)cc5)c4)cc31)c1ccccc1N2c1ccccc1.C1=CC2C(C=C1)C1(c3ccccc3-c3ccc(-c4ccc(-c5cc(-c6nc7ccccc7o6)cc(-c6nc7ccccc7o6)c5)cc4)cc31)c1ccccc1N2c1ccccc1.C1=CC2Sc3ccccc3C3(c4ccccc4-c4ccc(-c5ccc(-c6cc(-c7nc8ccccc8s7)cc(-c7nc8ccccc8s7)c6)cc5)cc43)C2C=C1.CC1(C)c2cc(-c3cc(-c4nc5ccccc5o4)cc(-c4nc5ccccc5o4)c3)ccc2-c2ccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)cc21.

What is the InChIKey of 2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(4-spiro[4a,9a-dihydrothioxanthene-9,9'-fluorene]-2'-ylphenyl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[4-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzoxazole?

The InChIKey is DTTNLFNFZFXUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N3S2.C60H38N2O2S.C57H37N3O2.C51H32N2S3/c1-2-14-48(15-3-1)66-57-22-10-6-18-52(57)63(53-19-7-11-23-58(53)66)51-17-5-4-16-49(51)50-35-34-44(39-54(50)63)47-37-45(40-26-30-42(31-27-40)61-64-55-20-8-12-24-59(55)67-61)36-46(38-47)41-28-32-43(33-29-41)62-65-56-21-9-13-25-60(56)68-62;1-59(2)49-33-36(35-25-28-46-44(32-35)41-13-3-4-14-45(41)60(46)47-15-5-11-21-55(47)65-56-22-12-6-16-48(56)60)23-26-42(49)43-27-24-37(34-50(43)59)38-29-39(57-61-51-17-7-9-19-53(51)63-57)31-40(30-38)58-62-52-18-8-10-20-54(52)64-58;1-2-14-42(15-3-1)60-51-22-10-6-18-46(51)57(47-19-7-11-23-52(47)60)45-17-5-4-16-43(45)44-31-30-38(35-48(44)57)36-26-28-37(29-27-36)39-32-40(55-58-49-20-8-12-24-53(49)61-55)34-41(33-39)56-59-50-21-9-13-25-54(50)62-56;1-2-12-39-37(11-1)38-26-25-33(30-42(38)51(39)40-13-3-7-17-45(40)54-46-18-8-4-14-41(46)51)31-21-23-32(24-22-31)34-27-35(49-52-43-15-5-9-19-47(43)55-49)29-36(28-34)50-53-44-16-6-10-20-48(44)56-50/h1-39,52,57H;3-34H,1-2H3;1-35,46,51H;1-30,40,45H.

What are the key properties of 2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(4-spiro[4a,9a-dihydrothioxanthene-9,9'-fluorene]-2'-ylphenyl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[4-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzoxazole?

2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(4-spiro[4a,9a-dihydrothioxanthene-9,9'-fluorene]-2'-ylphenyl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[4-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzoxazole has a molecular weight of 3320.19 g/mol, XLogP of 60.91, 19 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(4-spiro[4a,9a-dihydrothioxanthene-9,9'-fluorene]-2'-ylphenyl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[4-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 164975912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).