2-[[7-tert-butyl-10-(4-tert-butylphenyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5,7-dimethyl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(10-naphthalen-1-yl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;6-[[10-quinolin-8-yl-7-(trifluoromethyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[(4,5,10-triphenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione

C252H169F3N8O10Si — CID 158311018

IUPAC2-[[7-tert-butyl-10-(4-tert-butylphenyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5,7-dimethyl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(10-naphthalen-1-yl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;6-[[10-quinolin-8-yl-7-(trifluoromethyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[(4,5,10-triphenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESCC(C)(C)c1ccc(N2c3ccc(C=C4C(=O)c5cc6ccccc6cc5C4=O)cc3C3(c4ccccc4-c4ccccc43)c3cc(C(C)(C)C)ccc32)cc1.C[Si](C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)ccc1N2c1cccc2ccccc12.Cc1cc(C)c2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)ccc1N2c1ccccc1.O=C1C(=Cc2cc(-c3ccccc3)c3c(c2)C2(c4ccccc4-c4ccccc42)c2cccc(-c4ccccc4)c2N3c2ccccc2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(C(F)(F)F)ccc2N3c2cccc3cccnc23)C(=O)c2nccnc21
InChIInChI=1S/C57H35NO2.C53H43NO2.C52H37NO2Si.C47H31NO2.C43H23F3N4O2/c59-55-46-34-39-21-10-11-22-40(39)35-47(46)56(60)48(55)32-36-31-45(38-19-6-2-7-20-38)54-52(33-36)57(49-28-14-12-25-43(49)44-26-13-15-29-50(44)57)51-30-16-27-42(37-17-4-1-5-18-37)53(51)58(54)41-23-8-3-9-24-41;1-51(2,3)35-20-23-37(24-21-35)54-47-25-19-32(27-42-49(55)40-29-33-13-7-8-14-34(33)30-41(40)50(42)56)28-45(47)53(46-31-36(52(4,5)6)22-26-48(46)54)43-17-11-9-15-38(43)39-16-10-12-18-44(39)53;1-56(2,3)36-24-26-49-46(31-36)52(43-20-10-8-18-38(43)39-19-9-11-21-44(39)52)45-28-32(23-25-48(45)53(49)47-22-12-16-33-13-6-7-17-37(33)47)27-42-50(54)40-29-34-14-4-5-15-35(34)30-41(40)51(42)55;1-28-22-29(2)44-42(23-28)47(39-18-10-8-16-34(39)35-17-9-11-19-40(35)47)41-25-30(20-21-43(41)48(44)33-14-4-3-5-15-33)24-38-45(49)36-26-31-12-6-7-13-32(31)27-37(36)46(38)50;44-43(45,46)26-15-17-35-33(23-26)42(30-11-3-1-9-27(30)28-10-2-4-12-31(28)42)32-22-24(21-29-40(51)38-39(41(29)52)49-20-19-48-38)14-16-34(32)50(35)36-13-5-7-25-8-6-18-47-37(25)36/h1-35H;7-31H,1-6H3;4-31H,1-3H3;3-27H,1-2H3;1-23H
InChIKeyGNRIOEZNSIIDPR-UHFFFAOYSA-N
MW3554.25 g/mol
LogP59.69
Rot. Bonds13

About 2-[[7-tert-butyl-10-(4-tert-butylphenyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5,7-dimethyl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(10-naphthalen-1-yl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;6-[[10-quinolin-8-yl-7-(trifluoromethyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[(4,5,10-triphenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione

2-[[7-tert-butyl-10-(4-tert-butylphenyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5,7-dimethyl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(10-naphthalen-1-yl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;6-[[10-quinolin-8-yl-7-(trifluoromethyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[(4,5,10-triphenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 158311018) has the molecular formula C252H169F3N8O10Si and a molecular weight of 3554.25 g/mol. Its IUPAC name is 2-[[7-tert-butyl-10-(4-tert-butylphenyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5,7-dimethyl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(10-naphthalen-1-yl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;6-[[10-quinolin-8-yl-7-(trifluoromethyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[(4,5,10-triphenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

Compound Name2-[[7-tert-butyl-10-(4-tert-butylphenyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5,7-dimethyl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(10-naphthalen-1-yl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;6-[[10-quinolin-8-yl-7-(trifluoromethyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[(4,5,10-triphenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
PubChem CID158311018
Molecular FormulaC252H169F3N8O10Si
Molecular Weight3554.25 g/mol
Exact Mass3551.27
IUPAC Name2-[[7-tert-butyl-10-(4-tert-butylphenyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5,7-dimethyl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(10-naphthalen-1-yl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;6-[[10-quinolin-8-yl-7-(trifluoromethyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[(4,5,10-triphenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESCC(C)(C)c1ccc(N2c3ccc(C=C4C(=O)c5cc6ccccc6cc5C4=O)cc3C3(c4ccccc4-c4ccccc43)c3cc(C(C)(C)C)ccc32)cc1.C[Si](C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)ccc1N2c1cccc2ccccc12.Cc1cc(C)c2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)ccc1N2c1ccccc1.O=C1C(=Cc2cc(-c3ccccc3)c3c(c2)C2(c4ccccc4-c4ccccc42)c2cccc(-c4ccccc4)c2N3c2ccccc2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(C(F)(F)F)ccc2N3c2cccc3cccnc23)C(=O)c2nccnc21
InChIInChI=1S/C57H35NO2.C53H43NO2.C52H37NO2Si.C47H31NO2.C43H23F3N4O2/c59-55-46-34-39-21-10-11-22-40(39)35-47(46)56(60)48(55)32-36-31-45(38-19-6-2-7-20-38)54-52(33-36)57(49-28-14-12-25-43(49)44-26-13-15-29-50(44)57)51-30-16-27-42(37-17-4-1-5-18-37)53(51)58(54)41-23-8-3-9-24-41;1-51(2,3)35-20-23-37(24-21-35)54-47-25-19-32(27-42-49(55)40-29-33-13-7-8-14-34(33)30-41(40)50(42)56)28-45(47)53(46-31-36(52(4,5)6)22-26-48(46)54)43-17-11-9-15-38(43)39-16-10-12-18-44(39)53;1-56(2,3)36-24-26-49-46(31-36)52(43-20-10-8-18-38(43)39-19-9-11-21-44(39)52)45-28-32(23-25-48(45)53(49)47-22-12-16-33-13-6-7-17-37(33)47)27-42-50(54)40-29-34-14-4-5-15-35(34)30-41(40)51(42)55;1-28-22-29(2)44-42(23-28)47(39-18-10-8-16-34(39)35-17-9-11-19-40(35)47)41-25-30(20-21-43(41)48(44)33-14-4-3-5-15-33)24-38-45(49)36-26-31-12-6-7-13-32(31)27-37(36)46(38)50;44-43(45,46)26-15-17-35-33(23-26)42(30-11-3-1-9-27(30)28-10-2-4-12-31(28)42)32-22-24(21-29-40(51)38-39(41(29)52)49-20-19-48-38)14-16-34(32)50(35)36-13-5-7-25-8-6-18-47-37(25)36/h1-35H;7-31H,1-6H3;4-31H,1-3H3;3-27H,1-2H3;1-23H
InChIKeyGNRIOEZNSIIDPR-UHFFFAOYSA-N
XLogP59.69
TPSA225.57 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms274
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003554.25
LogP ≤ 559.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-[[7-tert-butyl-10-(4-tert-butylphenyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5,7-dimethyl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(10-naphthalen-1-yl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;6-[[10-quinolin-8-yl-7-(trifluoromethyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[(4,5,10-triphenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[10-Quinolin-8-yl-7-(trifluoromethyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione
CID 155430011
6-[(2,2-dimethyl-13-phenyl-13-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,7,10,14,16,18,20-decaen-7-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione;(2Z)-2-[(2,2-dimethyl-13-phenyl-13-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,7,10,14,16,18,20-decaen-7-yl)methylidene]-5-phenylindene-1,3-dione;2-[(18-phenyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.021,26]heptacosa-1(27),2,4,6,8(17),9(14),10,12,15,19,21,23,25-tridecaen-12-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 158885300
4,7-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;5,6-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;(6E)-6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione
CID 159283353
Bis(9,9'-spirobi[fluorene]-2-yl)methanone;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline;[2'-(9,9'-spirobi[fluorene]-2-carbonyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;2-(9,9'-spirobi[fluorene]-2-ylmethyl)-9,9'-spirobi[fluorene]
CID 159820649
2-[(14,14-Dimethyl-10-selena-8-azahexacyclo[13.7.1.02,7.08,23.09,13.016,21]tricosa-1(22),2,4,6,9(13),11,15(23),16,18,20-decaen-11-yl)methylidene]indene-1,3-dione;2-[(16,16-dimethyl-20-selena-1-azahexacyclo[10.9.2.02,7.08,23.015,22.017,21]tricosa-2,4,6,8,10,12(23),13,15(22),17(21),18-decaen-19-yl)methylidene]indene-1,3-dione;2-[(7,7-dimethyl-3-selena-1,9-diazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),4,8,10,12(19),13,15,17-octaen-4-yl)methylidene]indene-1,3-dione;2-[(5,5,15,15,21,21-hexamethyl-25-selena-1-azaheptacyclo[14.10.1.02,14.04,12.06,11.020,27.022,26]heptacosa-2(14),3,6,8,10,12,16,18,20(27),22(26),23-undecaen-24-yl)methylidene]indene-1,3-dione;2-[(7,7,17,17-tetramethyl-3-selena-1-azahexacyclo[14.7.1.02,6.08,24.010,15.018,23]tetracosa-2(6),4,8,10,12,14,16(24),18,20,22-decaen-4-yl)methylidene]indene-1,3-dione
CID 159879751
2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;bis(9,9'-spirobi[fluorene]-2-yl)methanone;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-phenylpyridine
CID 160494832
bis(9,9'-spirobi[fluorene]-2-yl)methanone;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;4,7-diphenyl-1,10-phenanthroline;iridium(3+);tris(2-phenylpyridine)
CID 160661605
2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;bis(9,9'-spirobi[fluorene]-2-yl)methanone;iridium;3-methyl-2-phenylpyridine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 160788519
2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;bis(9,9'-spirobi[fluorene]-2-yl)methanone;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;iridium;bis(3-methyl-2-phenylpyridine);3-methyl-2-phenylpyridine
CID 160950922
2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;bis(9,9'-spirobi[fluorene]-3-yl)methanone;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;iridium;2-phenylpyridine
CID 161213694
(2Z)-5-tert-butyl-2-[[9,9,10-trimethyl-7-(2,4,6-trifluorophenyl)acridin-2-yl]methylidene]indene-1,3-dione;2-[[10-cyclohexyl-7-[(1,3-dioxoinden-2-ylidene)methyl]-9,9-dimethylacridin-2-yl]methylidene]indene-1,3-dione;2-[[7-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,9,10-trimethylacridin-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;6-[[9,9,10-trimethyl-7-(3-methylthiophen-2-yl)acridin-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[(9,9,10-trimethyl-7-pyridin-2-ylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 163635113
CID 165061684
CID 165061684

Frequently Asked Questions

What is the IUPAC name of 2-[[7-tert-butyl-10-(4-tert-butylphenyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5,7-dimethyl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(10-naphthalen-1-yl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;6-[[10-quinolin-8-yl-7-(trifluoromethyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[(4,5,10-triphenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The IUPAC name of 2-[[7-tert-butyl-10-(4-tert-butylphenyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5,7-dimethyl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(10-naphthalen-1-yl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;6-[[10-quinolin-8-yl-7-(trifluoromethyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[(4,5,10-triphenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 158311018) is 2-[[7-tert-butyl-10-(4-tert-butylphenyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5,7-dimethyl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(10-naphthalen-1-yl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;6-[[10-quinolin-8-yl-7-(trifluoromethyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[(4,5,10-triphenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.
What is the SMILES notation for 2-[[7-tert-butyl-10-(4-tert-butylphenyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5,7-dimethyl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(10-naphthalen-1-yl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;6-[[10-quinolin-8-yl-7-(trifluoromethyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[(4,5,10-triphenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The canonical SMILES for 2-[[7-tert-butyl-10-(4-tert-butylphenyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5,7-dimethyl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(10-naphthalen-1-yl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;6-[[10-quinolin-8-yl-7-(trifluoromethyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[(4,5,10-triphenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is CC(C)(C)c1ccc(N2c3ccc(C=C4C(=O)c5cc6ccccc6cc5C4=O)cc3C3(c4ccccc4-c4ccccc43)c3cc(C(C)(C)C)ccc32)cc1.C[Si](C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)ccc1N2c1cccc2ccccc12.Cc1cc(C)c2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)ccc1N2c1ccccc1.O=C1C(=Cc2cc(-c3ccccc3)c3c(c2)C2(c4ccccc4-c4ccccc42)c2cccc(-c4ccccc4)c2N3c2ccccc2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(C(F)(F)F)ccc2N3c2cccc3cccnc23)C(=O)c2nccnc21.
What is the InChIKey of 2-[[7-tert-butyl-10-(4-tert-butylphenyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5,7-dimethyl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(10-naphthalen-1-yl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;6-[[10-quinolin-8-yl-7-(trifluoromethyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[(4,5,10-triphenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The InChIKey is GNRIOEZNSIIDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35NO2.C53H43NO2.C52H37NO2Si.C47H31NO2.C43H23F3N4O2/c59-55-46-34-39-21-10-11-22-40(39)35-47(46)56(60)48(55)32-36-31-45(38-19-6-2-7-20-38)54-52(33-36)57(49-28-14-12-25-43(49)44-26-13-15-29-50(44)57)51-30-16-27-42(37-17-4-1-5-18-37)53(51)58(54)41-23-8-3-9-24-41;1-51(2,3)35-20-23-37(24-21-35)54-47-25-19-32(27-42-49(55)40-29-33-13-7-8-14-34(33)30-41(40)50(42)56)28-45(47)53(46-31-36(52(4,5)6)22-26-48(46)54)43-17-11-9-15-38(43)39-16-10-12-18-44(39)53;1-56(2,3)36-24-26-49-46(31-36)52(43-20-10-8-18-38(43)39-19-9-11-21-44(39)52)45-28-32(23-25-48(45)53(49)47-22-12-16-33-13-6-7-17-37(33)47)27-42-50(54)40-29-34-14-4-5-15-35(34)30-41(40)51(42)55;1-28-22-29(2)44-42(23-28)47(39-18-10-8-16-34(39)35-17-9-11-19-40(35)47)41-25-30(20-21-43(41)48(44)33-14-4-3-5-15-33)24-38-45(49)36-26-31-12-6-7-13-32(31)27-37(36)46(38)50;44-43(45,46)26-15-17-35-33(23-26)42(30-11-3-1-9-27(30)28-10-2-4-12-31(28)42)32-22-24(21-29-40(51)38-39(41(29)52)49-20-19-48-38)14-16-34(32)50(35)36-13-5-7-25-8-6-18-47-37(25)36/h1-35H;7-31H,1-6H3;4-31H,1-3H3;3-27H,1-2H3;1-23H.
What are the key properties of 2-[[7-tert-butyl-10-(4-tert-butylphenyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5,7-dimethyl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(10-naphthalen-1-yl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;6-[[10-quinolin-8-yl-7-(trifluoromethyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[(4,5,10-triphenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
2-[[7-tert-butyl-10-(4-tert-butylphenyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5,7-dimethyl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(10-naphthalen-1-yl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;6-[[10-quinolin-8-yl-7-(trifluoromethyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[(4,5,10-triphenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 3554.25 g/mol, XLogP of 59.69, 13 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-tert-butyl-10-(4-tert-butylphenyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5,7-dimethyl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(10-naphthalen-1-yl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;6-[[10-quinolin-8-yl-7-(trifluoromethyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[(4,5,10-triphenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 158311018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).