9,9-dimethyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-dimethyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)acridine;10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine;10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine

C254H202F3N5S2 — CID 159439505

IUPAC9,9-dimethyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-dimethyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)acridine;10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine;10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc3-2)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21.CC(C)(C)c1ccc2c(c1)C1(c3cc(N4c5ccccc5Sc5ccccc54)ccc3-2)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21.CC1(C)c2ccccc2N(c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4-c4ccc(-c5ccccc5)cc42)c2cc(-c4ccccc4)ccc2-3)c2ccccc21.CC1(C)c2ccccc2N(c2ccc3c(c2)C2(c4cc(F)ccc4-c4ccc(F)cc42)c2cc(F)ccc2-3)c2ccccc21.c1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4-3)c3cc(-c4ccccc4)ccc3-c3ccc(N4c5ccccc5Sc5ccccc54)cc32)cc1
InChIInChI=1S/C58H41N.C55H35NS.C52H53N.C49H47NS.C40H26F3N/c1-57(2)49-22-12-14-24-55(49)59(56-25-15-13-23-50(56)57)44-29-33-48-47-32-28-43(40-20-10-5-11-21-40)36-53(47)58(54(48)37-44)51-34-41(38-16-6-3-7-17-38)26-30-45(51)46-31-27-42(35-52(46)58)39-18-8-4-9-19-39;1-4-14-36(15-5-1)39-24-28-43-44-29-25-40(37-16-6-2-7-17-37)33-48(44)55(47(43)32-39)49-34-41(38-18-8-3-9-19-38)26-30-45(49)46-31-27-42(35-50(46)55)56-51-20-10-12-22-53(51)57-54-23-13-11-21-52(54)56;1-48(2,3)32-20-24-36-37-25-21-33(49(4,5)6)29-43(37)52(42(36)28-32)44-30-34(50(7,8)9)22-26-38(44)39-27-23-35(31-45(39)52)53-46-18-14-12-16-40(46)51(10,11)41-17-13-15-19-47(41)53;1-46(2,3)30-18-22-34-35-23-19-31(47(4,5)6)27-39(35)49(38(34)26-30)40-28-32(48(7,8)9)20-24-36(40)37-25-21-33(29-41(37)49)50-42-14-10-12-16-44(42)51-45-17-13-11-15-43(45)50;1-39(2)31-7-3-5-9-37(31)44(38-10-6-4-8-32(38)39)26-14-18-30-29-17-13-25(43)21-35(29)40(36(30)22-26)33-19-23(41)11-15-27(33)28-16-12-24(42)20-34(28)40/h3-37H,1-2H3;1-35H;12-31H,1-11H3;10-29H,1-9H3;3-22H,1-2H3
InChIKeyLRZMZODCXSKSEY-UHFFFAOYSA-N
MW3445.57 g/mol
LogP68.55
Rot. Bonds11

About 9,9-dimethyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-dimethyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)acridine;10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine;10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine

9,9-dimethyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-dimethyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)acridine;10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine;10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine (PubChem CID 159439505) has the molecular formula C254H202F3N5S2 and a molecular weight of 3445.57 g/mol. Its IUPAC name is 9,9-dimethyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-dimethyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)acridine;10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine;10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine.

Molecular Properties

Compound Name9,9-dimethyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-dimethyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)acridine;10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine;10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine
PubChem CID159439505
Molecular FormulaC254H202F3N5S2
Molecular Weight3445.57 g/mol
Exact Mass3442.54
IUPAC Name9,9-dimethyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-dimethyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)acridine;10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine;10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc3-2)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21.CC(C)(C)c1ccc2c(c1)C1(c3cc(N4c5ccccc5Sc5ccccc54)ccc3-2)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21.CC1(C)c2ccccc2N(c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4-c4ccc(-c5ccccc5)cc42)c2cc(-c4ccccc4)ccc2-3)c2ccccc21.CC1(C)c2ccccc2N(c2ccc3c(c2)C2(c4cc(F)ccc4-c4ccc(F)cc42)c2cc(F)ccc2-3)c2ccccc21.c1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4-3)c3cc(-c4ccccc4)ccc3-c3ccc(N4c5ccccc5Sc5ccccc54)cc32)cc1
InChIInChI=1S/C58H41N.C55H35NS.C52H53N.C49H47NS.C40H26F3N/c1-57(2)49-22-12-14-24-55(49)59(56-25-15-13-23-50(56)57)44-29-33-48-47-32-28-43(40-20-10-5-11-21-40)36-53(47)58(54(48)37-44)51-34-41(38-16-6-3-7-17-38)26-30-45(51)46-31-27-42(35-52(46)58)39-18-8-4-9-19-39;1-4-14-36(15-5-1)39-24-28-43-44-29-25-40(37-16-6-2-7-17-37)33-48(44)55(47(43)32-39)49-34-41(38-18-8-3-9-19-38)26-30-45(49)46-31-27-42(35-50(46)55)56-51-20-10-12-22-53(51)57-54-23-13-11-21-52(54)56;1-48(2,3)32-20-24-36-37-25-21-33(49(4,5)6)29-43(37)52(42(36)28-32)44-30-34(50(7,8)9)22-26-38(44)39-27-23-35(31-45(39)52)53-46-18-14-12-16-40(46)51(10,11)41-17-13-15-19-47(41)53;1-46(2,3)30-18-22-34-35-23-19-31(47(4,5)6)27-39(35)49(38(34)26-30)40-28-32(48(7,8)9)20-24-36(40)37-25-21-33(29-41(37)49)50-42-14-10-12-16-44(42)51-45-17-13-11-15-43(45)50;1-39(2)31-7-3-5-9-37(31)44(38-10-6-4-8-32(38)39)26-14-18-30-29-17-13-25(43)21-35(29)40(36(30)22-26)33-19-23(41)11-15-27(33)28-16-12-24(42)20-34(28)40/h3-37H,1-2H3;1-35H;12-31H,1-11H3;10-29H,1-9H3;3-22H,1-2H3
InChIKeyLRZMZODCXSKSEY-UHFFFAOYSA-N
XLogP68.55
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms264
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003445.57
LogP ≤ 568.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9,9-dimethyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-dimethyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)acridine;10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine;10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine with MolForge

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Related Compounds

9,9-dimethyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-dimethyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;10-(2'-fluoro-7,7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-9,9-dimethylacridine;10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine;10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine
CID 159221701
9,9-diphenyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-diphenyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;5-phenyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenazine
CID 159931610
2'-fluoro-10,10'-bis(4-phenylphenyl)-2-(trifluoromethyl)-9,9'-spirobi[acridine]
CID 176670484
2-tert-butyl-10-[7'-(2-tert-butyl-9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-ethyl-9-methylacridine
CID 144530914
10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 171799183
10-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)phenothiazine
CID 89368090
14-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130439455
2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine
CID 142356251
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9,10,10-tetramethylanthracen-2-yl]phenothiazine
CID 134578997
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 158041243
10-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)phenothiazine
CID 146495406
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]phenyl]phenothiazine
CID 118528525

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-dimethyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)acridine;10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine;10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine?
The IUPAC name of 9,9-dimethyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-dimethyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)acridine;10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine;10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine (CID 159439505) is 9,9-dimethyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-dimethyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)acridine;10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine;10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine.
What is the SMILES notation for 9,9-dimethyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-dimethyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)acridine;10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine;10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine?
The canonical SMILES for 9,9-dimethyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-dimethyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)acridine;10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine;10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine is CC(C)(C)c1ccc2c(c1)C1(c3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc3-2)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21.CC(C)(C)c1ccc2c(c1)C1(c3cc(N4c5ccccc5Sc5ccccc54)ccc3-2)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21.CC1(C)c2ccccc2N(c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4-c4ccc(-c5ccccc5)cc42)c2cc(-c4ccccc4)ccc2-3)c2ccccc21.CC1(C)c2ccccc2N(c2ccc3c(c2)C2(c4cc(F)ccc4-c4ccc(F)cc42)c2cc(F)ccc2-3)c2ccccc21.c1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4-3)c3cc(-c4ccccc4)ccc3-c3ccc(N4c5ccccc5Sc5ccccc54)cc32)cc1.
What is the InChIKey of 9,9-dimethyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-dimethyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)acridine;10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine;10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine?
The InChIKey is LRZMZODCXSKSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N.C55H35NS.C52H53N.C49H47NS.C40H26F3N/c1-57(2)49-22-12-14-24-55(49)59(56-25-15-13-23-50(56)57)44-29-33-48-47-32-28-43(40-20-10-5-11-21-40)36-53(47)58(54(48)37-44)51-34-41(38-16-6-3-7-17-38)26-30-45(51)46-31-27-42(35-52(46)58)39-18-8-4-9-19-39;1-4-14-36(15-5-1)39-24-28-43-44-29-25-40(37-16-6-2-7-17-37)33-48(44)55(47(43)32-39)49-34-41(38-18-8-3-9-19-38)26-30-45(49)46-31-27-42(35-50(46)55)56-51-20-10-12-22-53(51)57-54-23-13-11-21-52(54)56;1-48(2,3)32-20-24-36-37-25-21-33(49(4,5)6)29-43(37)52(42(36)28-32)44-30-34(50(7,8)9)22-26-38(44)39-27-23-35(31-45(39)52)53-46-18-14-12-16-40(46)51(10,11)41-17-13-15-19-47(41)53;1-46(2,3)30-18-22-34-35-23-19-31(47(4,5)6)27-39(35)49(38(34)26-30)40-28-32(48(7,8)9)20-24-36(40)37-25-21-33(29-41(37)49)50-42-14-10-12-16-44(42)51-45-17-13-11-15-43(45)50;1-39(2)31-7-3-5-9-37(31)44(38-10-6-4-8-32(38)39)26-14-18-30-29-17-13-25(43)21-35(29)40(36(30)22-26)33-19-23(41)11-15-27(33)28-16-12-24(42)20-34(28)40/h3-37H,1-2H3;1-35H;12-31H,1-11H3;10-29H,1-9H3;3-22H,1-2H3.
What are the key properties of 9,9-dimethyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-dimethyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)acridine;10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine;10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine?
9,9-dimethyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-dimethyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)acridine;10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine;10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine has a molecular weight of 3445.57 g/mol, XLogP of 68.55, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-dimethyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)acridine;10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine;10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine is sourced from PubChem (CID 159439505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).