2-[[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoranthen-8-yl]methylidene]indene-1,3-dione;(6E)-6-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;2-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;3,3-dimethyl-2-[[5-(N-phenylanilino)thiophen-2-yl]methyl]-2H-cyclopenta[b]naphthalen-1-one;(2Z)-2-[[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]methylidene]-3,3-dimethylinden-1-one;(Z)-2-isocyano-3-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]prop-2-enenitrile;2-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;2-[[2-[4-(N-phenylanilino)phenyl]-1,3-thiazol-5-yl]methylidene]indene-1,3-dione

C284H224F2N12O12S7 — CID 161116805

IUPAC2-[[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoranthen-8-yl]methylidene]indene-1,3-dione;(6E)-6-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;2-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;3,3-dimethyl-2-[[5-(N-phenylanilino)thiophen-2-yl]methyl]-2H-cyclopenta[b]naphthalen-1-one;(2Z)-2-[[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]methylidene]-3,3-dimethylinden-1-one;(Z)-2-isocyano-3-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]prop-2-enenitrile;2-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;2-[[2-[4-(N-phenylanilino)phenyl]-1,3-thiazol-5-yl]methylidene]indene-1,3-dione
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccc(/C=C4\C(=O)c5ccncc5C4=O)s3)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N(c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)s3)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c4c(cccc24)-c2cc(C=C4C(=O)c5ccccc5C4=O)ccc2-3)cc1.CC1(C)/C(=C/c2ccc(-c3ccc(N(c4ccc(F)cc4)c4ccc(F)cc4)cc3)s2)C(=O)c2ccccc21.CC1(C)c2cc3ccccc3cc2C(=O)C1Cc1ccc(N(c2ccccc2)c2ccccc2)s1.O=C1C(=Cc2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)s2)C(=O)c2ccccc21.O=C1C(=Cc2cnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)C(=O)c2ccccc21.[C-]#[N+]/C(C#N)=C\c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1
InChIInChI=1S/C46H39NO2.C40H37NO2S.C39H36N2O2S.C36H23NO2S.C34H25F2NOS.C32H27NOS.C31H20N2O2S.C26H17N3S/c1-45(2,3)29-15-19-31(20-16-29)47(32-21-17-30(18-22-32)46(4,5)6)41-25-24-35-33-23-14-28(26-39(33)34-12-9-13-38(41)42(34)35)27-40-43(48)36-10-7-8-11-37(36)44(40)49;1-39(2,3)27-13-19-30(20-14-27)41(31-21-15-28(16-22-31)40(4,5)6)29-17-11-26(12-18-29)36-24-23-32(44-36)25-35-37(42)33-9-7-8-10-34(33)38(35)43;1-38(2,3)26-9-15-29(16-10-26)41(30-17-11-27(12-18-30)39(4,5)6)28-13-7-25(8-14-28)35-20-19-31(44-35)23-33-36(42)32-21-22-40-24-34(32)37(33)43;38-35-31-12-6-7-13-32(31)36(39)33(35)23-30-20-21-34(40-30)25-15-17-28(18-16-25)37(27-10-2-1-3-11-27)29-19-14-24-8-4-5-9-26(24)22-29;1-34(2)30-6-4-3-5-29(30)33(38)31(34)21-28-19-20-32(39-28)22-7-13-25(14-8-22)37(26-15-9-23(35)10-16-26)27-17-11-24(36)12-18-27;1-32(2)28-20-23-12-10-9-11-22(23)19-27(28)31(34)29(32)21-26-17-18-30(35-26)33(24-13-5-3-6-14-24)25-15-7-4-8-16-25;34-29-26-13-7-8-14-27(26)30(35)28(29)19-25-20-32-31(36-25)21-15-17-24(18-16-21)33(22-9-3-1-4-10-22)23-11-5-2-6-12-23;1-28-21(19-27)18-25-16-17-26(30-25)20-12-14-24(15-13-20)29(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h7-27H,1-6H3;7-25H,1-6H3;7-24H,1-6H3;1-23H;3-21H,1-2H3;3-20,29H,21H2,1-2H3;1-20H;2-18H/b;;33-23+;;31-21+;;;21-18-
InChIKeyUKKQJCIOHUUAIC-FKOMJSMLSA-N
MW4259.45 g/mol
LogP76.63
Rot. Bonds39

About 2-[[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoranthen-8-yl]methylidene]indene-1,3-dione;(6E)-6-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;2-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;3,3-dimethyl-2-[[5-(N-phenylanilino)thiophen-2-yl]methyl]-2H-cyclopenta[b]naphthalen-1-one;(2Z)-2-[[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]methylidene]-3,3-dimethylinden-1-one;(Z)-2-isocyano-3-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]prop-2-enenitrile;2-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;2-[[2-[4-(N-phenylanilino)phenyl]-1,3-thiazol-5-yl]methylidene]indene-1,3-dione

2-[[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoranthen-8-yl]methylidene]indene-1,3-dione;(6E)-6-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;2-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;3,3-dimethyl-2-[[5-(N-phenylanilino)thiophen-2-yl]methyl]-2H-cyclopenta[b]naphthalen-1-one;(2Z)-2-[[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]methylidene]-3,3-dimethylinden-1-one;(Z)-2-isocyano-3-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]prop-2-enenitrile;2-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;2-[[2-[4-(N-phenylanilino)phenyl]-1,3-thiazol-5-yl]methylidene]indene-1,3-dione (PubChem CID 161116805) has the molecular formula C284H224F2N12O12S7 and a molecular weight of 4259.45 g/mol. Its IUPAC name is 2-[[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoranthen-8-yl]methylidene]indene-1,3-dione;(6E)-6-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;2-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;3,3-dimethyl-2-[[5-(N-phenylanilino)thiophen-2-yl]methyl]-2H-cyclopenta[b]naphthalen-1-one;(2Z)-2-[[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]methylidene]-3,3-dimethylinden-1-one;(Z)-2-isocyano-3-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]prop-2-enenitrile;2-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;2-[[2-[4-(N-phenylanilino)phenyl]-1,3-thiazol-5-yl]methylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoranthen-8-yl]methylidene]indene-1,3-dione;(6E)-6-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;2-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;3,3-dimethyl-2-[[5-(N-phenylanilino)thiophen-2-yl]methyl]-2H-cyclopenta[b]naphthalen-1-one;(2Z)-2-[[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]methylidene]-3,3-dimethylinden-1-one;(Z)-2-isocyano-3-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]prop-2-enenitrile;2-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;2-[[2-[4-(N-phenylanilino)phenyl]-1,3-thiazol-5-yl]methylidene]indene-1,3-dione
PubChem CID161116805
Molecular FormulaC284H224F2N12O12S7
Molecular Weight4259.45 g/mol
Exact Mass4255.53
IUPAC Name2-[[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoranthen-8-yl]methylidene]indene-1,3-dione;(6E)-6-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;2-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;3,3-dimethyl-2-[[5-(N-phenylanilino)thiophen-2-yl]methyl]-2H-cyclopenta[b]naphthalen-1-one;(2Z)-2-[[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]methylidene]-3,3-dimethylinden-1-one;(Z)-2-isocyano-3-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]prop-2-enenitrile;2-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;2-[[2-[4-(N-phenylanilino)phenyl]-1,3-thiazol-5-yl]methylidene]indene-1,3-dione
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccc(/C=C4\C(=O)c5ccncc5C4=O)s3)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N(c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)s3)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c4c(cccc24)-c2cc(C=C4C(=O)c5ccccc5C4=O)ccc2-3)cc1.CC1(C)/C(=C/c2ccc(-c3ccc(N(c4ccc(F)cc4)c4ccc(F)cc4)cc3)s2)C(=O)c2ccccc21.CC1(C)c2cc3ccccc3cc2C(=O)C1Cc1ccc(N(c2ccccc2)c2ccccc2)s1.O=C1C(=Cc2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)s2)C(=O)c2ccccc21.O=C1C(=Cc2cnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)C(=O)c2ccccc21.[C-]#[N+]/C(C#N)=C\c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1
InChIInChI=1S/C46H39NO2.C40H37NO2S.C39H36N2O2S.C36H23NO2S.C34H25F2NOS.C32H27NOS.C31H20N2O2S.C26H17N3S/c1-45(2,3)29-15-19-31(20-16-29)47(32-21-17-30(18-22-32)46(4,5)6)41-25-24-35-33-23-14-28(26-39(33)34-12-9-13-38(41)42(34)35)27-40-43(48)36-10-7-8-11-37(36)44(40)49;1-39(2,3)27-13-19-30(20-14-27)41(31-21-15-28(16-22-31)40(4,5)6)29-17-11-26(12-18-29)36-24-23-32(44-36)25-35-37(42)33-9-7-8-10-34(33)38(35)43;1-38(2,3)26-9-15-29(16-10-26)41(30-17-11-27(12-18-30)39(4,5)6)28-13-7-25(8-14-28)35-20-19-31(44-35)23-33-36(42)32-21-22-40-24-34(32)37(33)43;38-35-31-12-6-7-13-32(31)36(39)33(35)23-30-20-21-34(40-30)25-15-17-28(18-16-25)37(27-10-2-1-3-11-27)29-19-14-24-8-4-5-9-26(24)22-29;1-34(2)30-6-4-3-5-29(30)33(38)31(34)21-28-19-20-32(39-28)22-7-13-25(14-8-22)37(26-15-9-23(35)10-16-26)27-17-11-24(36)12-18-27;1-32(2)28-20-23-12-10-9-11-22(23)19-27(28)31(34)29(32)21-26-17-18-30(35-26)33(24-13-5-3-6-14-24)25-15-7-4-8-16-25;34-29-26-13-7-8-14-27(26)30(35)28(29)19-25-20-32-31(36-25)21-15-17-24(18-16-21)33(22-9-3-1-4-10-22)23-11-5-2-6-12-23;1-28-21(19-27)18-25-16-17-26(30-25)20-12-14-24(15-13-20)29(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h7-27H,1-6H3;7-25H,1-6H3;7-24H,1-6H3;1-23H;3-21H,1-2H3;3-20,29H,21H2,1-2H3;1-20H;2-18H/b;;33-23+;;31-21+;;;21-18-
InChIKeyUKKQJCIOHUUAIC-FKOMJSMLSA-N
XLogP76.63
TPSA284.69 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds39
Heavy Atoms317
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004259.45
LogP ≤ 576.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 2-[[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoranthen-8-yl]methylidene]indene-1,3-dione;(6E)-6-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;2-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;3,3-dimethyl-2-[[5-(N-phenylanilino)thiophen-2-yl]methyl]-2H-cyclopenta[b]naphthalen-1-one;(2Z)-2-[[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]methylidene]-3,3-dimethylinden-1-one;(Z)-2-isocyano-3-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]prop-2-enenitrile;2-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;2-[[2-[4-(N-phenylanilino)phenyl]-1,3-thiazol-5-yl]methylidene]indene-1,3-dione with MolForge

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Related Compounds

(6Z)-6-[[5-[6-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)naphthalen-2-yl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;6-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;(6E)-6-[[5-[4-(3,5-ditert-butyl-N-pyridin-3-ylanilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(2Z)-3,3-difluoro-2-[[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[b]naphthalen-1-one;2,3-difluoro-6-[[5-[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;(6Z)-6-[[5-[4-(N-pyridin-3-ylanilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione
CID 158679556
2-[[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-8,8-dimethyl-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]indene-1,3-dione;2-[[8,8-difluoro-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]indene-1,3-dione;2-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]indene-1,3-dione;2-[[8,8-dimethyl-5-[naphthalen-1-yl(naphthalen-2-yl)amino]-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]indene-1,3-dione;2-[[8,8-dimethyl-5-(N-pyridin-4-ylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]indene-1,3-dione
CID 161952883
3-[2-[(1,3-Dioxoinden-2-ylidene)methyl]-9-(4-fluoronaphthalen-1-yl)-4,4-dimethylthieno[2,3-b]quinolin-6-yl]-4-fluorobenzonitrile;4-[2-[(1,3-dioxoinden-2-ylidene)methyl]-9-(4-fluoronaphthalen-1-yl)-4,4-dimethylthieno[2,3-b]quinolin-6-yl]pyridine-3-carbonitrile
CID 157758547
(2Z)-2-[(2Z)-2-[[4-[6-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)thieno[3,2-b][1]benzothiol-2-yl]phenyl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[5-[6-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)thieno[3,2-b][1]benzothiol-2-yl]thiophen-2-yl]methylidene]indene-1,3-dione;(6Z)-6-[[6-(3,6-ditert-butylcarbazol-9-yl)thieno[3,2-b][1]benzothiol-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;5,6-difluoro-2-[[5-[6-(4-fluoro-N-(4-fluorophenyl)anilino)thieno[3,2-b][1]benzothiol-2-yl]-2-pyridinyl]methylidene]indene-1,3-dione
CID 157992479
CID 158202707
CID 158202707
2-[[5-[bis(9,9-dimethylfluoren-2-yl)amino]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-carbazol-9-ylthiophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[5-(dithiophen-2-ylamino)thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2E)-6-fluoro-2-[[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 158836248
2-[[9,9'-Bis(2,4,6-trimethylphenyl)-4,4'-spirobi[thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;2-[[4,4-diethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b][1,4]benzazagermin-2-yl]methylidene]indene-1,3-dione;2-[(9-naphthalen-1-yl-4,4-diphenylthieno[2,3-b]quinolin-2-yl)methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione
CID 158990224
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
2-[[5-(N-anthracen-2-ylanilino)thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[5-[bis(9,9-dimethylfluoren-2-yl)amino]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-carbazol-9-ylthiophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;(2E)-7-fluoro-2-[[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]methylidene]cyclopenta[b]anthracene-1,3-dione
CID 161048779

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoranthen-8-yl]methylidene]indene-1,3-dione;(6E)-6-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;2-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;3,3-dimethyl-2-[[5-(N-phenylanilino)thiophen-2-yl]methyl]-2H-cyclopenta[b]naphthalen-1-one;(2Z)-2-[[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]methylidene]-3,3-dimethylinden-1-one;(Z)-2-isocyano-3-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]prop-2-enenitrile;2-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;2-[[2-[4-(N-phenylanilino)phenyl]-1,3-thiazol-5-yl]methylidene]indene-1,3-dione?
The IUPAC name of 2-[[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoranthen-8-yl]methylidene]indene-1,3-dione;(6E)-6-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;2-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;3,3-dimethyl-2-[[5-(N-phenylanilino)thiophen-2-yl]methyl]-2H-cyclopenta[b]naphthalen-1-one;(2Z)-2-[[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]methylidene]-3,3-dimethylinden-1-one;(Z)-2-isocyano-3-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]prop-2-enenitrile;2-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;2-[[2-[4-(N-phenylanilino)phenyl]-1,3-thiazol-5-yl]methylidene]indene-1,3-dione (CID 161116805) is 2-[[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoranthen-8-yl]methylidene]indene-1,3-dione;(6E)-6-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;2-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;3,3-dimethyl-2-[[5-(N-phenylanilino)thiophen-2-yl]methyl]-2H-cyclopenta[b]naphthalen-1-one;(2Z)-2-[[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]methylidene]-3,3-dimethylinden-1-one;(Z)-2-isocyano-3-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]prop-2-enenitrile;2-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;2-[[2-[4-(N-phenylanilino)phenyl]-1,3-thiazol-5-yl]methylidene]indene-1,3-dione.
What is the SMILES notation for 2-[[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoranthen-8-yl]methylidene]indene-1,3-dione;(6E)-6-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;2-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;3,3-dimethyl-2-[[5-(N-phenylanilino)thiophen-2-yl]methyl]-2H-cyclopenta[b]naphthalen-1-one;(2Z)-2-[[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]methylidene]-3,3-dimethylinden-1-one;(Z)-2-isocyano-3-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]prop-2-enenitrile;2-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;2-[[2-[4-(N-phenylanilino)phenyl]-1,3-thiazol-5-yl]methylidene]indene-1,3-dione?
The canonical SMILES for 2-[[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoranthen-8-yl]methylidene]indene-1,3-dione;(6E)-6-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;2-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;3,3-dimethyl-2-[[5-(N-phenylanilino)thiophen-2-yl]methyl]-2H-cyclopenta[b]naphthalen-1-one;(2Z)-2-[[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]methylidene]-3,3-dimethylinden-1-one;(Z)-2-isocyano-3-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]prop-2-enenitrile;2-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;2-[[2-[4-(N-phenylanilino)phenyl]-1,3-thiazol-5-yl]methylidene]indene-1,3-dione is CC(C)(C)c1ccc(N(c2ccc(-c3ccc(/C=C4\C(=O)c5ccncc5C4=O)s3)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N(c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)s3)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c4c(cccc24)-c2cc(C=C4C(=O)c5ccccc5C4=O)ccc2-3)cc1.CC1(C)/C(=C/c2ccc(-c3ccc(N(c4ccc(F)cc4)c4ccc(F)cc4)cc3)s2)C(=O)c2ccccc21.CC1(C)c2cc3ccccc3cc2C(=O)C1Cc1ccc(N(c2ccccc2)c2ccccc2)s1.O=C1C(=Cc2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)s2)C(=O)c2ccccc21.O=C1C(=Cc2cnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)C(=O)c2ccccc21.[C-]#[N+]/C(C#N)=C\c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1.
What is the InChIKey of 2-[[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoranthen-8-yl]methylidene]indene-1,3-dione;(6E)-6-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;2-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;3,3-dimethyl-2-[[5-(N-phenylanilino)thiophen-2-yl]methyl]-2H-cyclopenta[b]naphthalen-1-one;(2Z)-2-[[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]methylidene]-3,3-dimethylinden-1-one;(Z)-2-isocyano-3-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]prop-2-enenitrile;2-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;2-[[2-[4-(N-phenylanilino)phenyl]-1,3-thiazol-5-yl]methylidene]indene-1,3-dione?
The InChIKey is UKKQJCIOHUUAIC-FKOMJSMLSA-N. The full InChI is InChI=1S/C46H39NO2.C40H37NO2S.C39H36N2O2S.C36H23NO2S.C34H25F2NOS.C32H27NOS.C31H20N2O2S.C26H17N3S/c1-45(2,3)29-15-19-31(20-16-29)47(32-21-17-30(18-22-32)46(4,5)6)41-25-24-35-33-23-14-28(26-39(33)34-12-9-13-38(41)42(34)35)27-40-43(48)36-10-7-8-11-37(36)44(40)49;1-39(2,3)27-13-19-30(20-14-27)41(31-21-15-28(16-22-31)40(4,5)6)29-17-11-26(12-18-29)36-24-23-32(44-36)25-35-37(42)33-9-7-8-10-34(33)38(35)43;1-38(2,3)26-9-15-29(16-10-26)41(30-17-11-27(12-18-30)39(4,5)6)28-13-7-25(8-14-28)35-20-19-31(44-35)23-33-36(42)32-21-22-40-24-34(32)37(33)43;38-35-31-12-6-7-13-32(31)36(39)33(35)23-30-20-21-34(40-30)25-15-17-28(18-16-25)37(27-10-2-1-3-11-27)29-19-14-24-8-4-5-9-26(24)22-29;1-34(2)30-6-4-3-5-29(30)33(38)31(34)21-28-19-20-32(39-28)22-7-13-25(14-8-22)37(26-15-9-23(35)10-16-26)27-17-11-24(36)12-18-27;1-32(2)28-20-23-12-10-9-11-22(23)19-27(28)31(34)29(32)21-26-17-18-30(35-26)33(24-13-5-3-6-14-24)25-15-7-4-8-16-25;34-29-26-13-7-8-14-27(26)30(35)28(29)19-25-20-32-31(36-25)21-15-17-24(18-16-21)33(22-9-3-1-4-10-22)23-11-5-2-6-12-23;1-28-21(19-27)18-25-16-17-26(30-25)20-12-14-24(15-13-20)29(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h7-27H,1-6H3;7-25H,1-6H3;7-24H,1-6H3;1-23H;3-21H,1-2H3;3-20,29H,21H2,1-2H3;1-20H;2-18H/b;;33-23+;;31-21+;;;21-18-.
What are the key properties of 2-[[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoranthen-8-yl]methylidene]indene-1,3-dione;(6E)-6-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;2-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;3,3-dimethyl-2-[[5-(N-phenylanilino)thiophen-2-yl]methyl]-2H-cyclopenta[b]naphthalen-1-one;(2Z)-2-[[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]methylidene]-3,3-dimethylinden-1-one;(Z)-2-isocyano-3-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]prop-2-enenitrile;2-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;2-[[2-[4-(N-phenylanilino)phenyl]-1,3-thiazol-5-yl]methylidene]indene-1,3-dione?
2-[[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoranthen-8-yl]methylidene]indene-1,3-dione;(6E)-6-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;2-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;3,3-dimethyl-2-[[5-(N-phenylanilino)thiophen-2-yl]methyl]-2H-cyclopenta[b]naphthalen-1-one;(2Z)-2-[[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]methylidene]-3,3-dimethylinden-1-one;(Z)-2-isocyano-3-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]prop-2-enenitrile;2-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;2-[[2-[4-(N-phenylanilino)phenyl]-1,3-thiazol-5-yl]methylidene]indene-1,3-dione has a molecular weight of 4259.45 g/mol, XLogP of 76.63, 39 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoranthen-8-yl]methylidene]indene-1,3-dione;(6E)-6-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;2-[[5-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;3,3-dimethyl-2-[[5-(N-phenylanilino)thiophen-2-yl]methyl]-2H-cyclopenta[b]naphthalen-1-one;(2Z)-2-[[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]methylidene]-3,3-dimethylinden-1-one;(Z)-2-isocyano-3-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]prop-2-enenitrile;2-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]indene-1,3-dione;2-[[2-[4-(N-phenylanilino)phenyl]-1,3-thiazol-5-yl]methylidene]indene-1,3-dione is sourced from PubChem (CID 161116805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).