(6Z)-6-[[5-[4-[bis(6-tert-butyl-3-pyridinyl)amino]phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;6-[[5-[5-[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione

C109H76F2N10O6S5 — CID 161476526

IUPAC(6Z)-6-[[5-[4-[bis(6-tert-butyl-3-pyridinyl)amino]phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;6-[[5-[5-[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccc(/C=C4/C(=O)c5ccncc5C4=O)s3)cc2)c2ccc(C(C)(C)C)nc2)cn1.O=C1C(=Cc2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccc(F)cc6)c6ccc(F)cc6)cc5)s4)s3)s2)C(=O)c2nccnc21.O=C1C(=Cc2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)s2)C(=O)c2nccnc21
InChIInChI=1S/C38H21F2N3O2S3.C37H34N4O2S.C34H21N3O2S/c39-23-3-9-26(10-4-23)43(27-11-5-24(40)6-12-27)25-7-1-22(2-8-25)30-15-16-33(47-30)34-18-17-32(48-34)31-14-13-28(46-31)21-29-37(44)35-36(38(29)45)42-20-19-41-35;1-36(2,3)32-15-11-25(20-39-32)41(26-12-16-33(40-21-26)37(4,5)6)24-9-7-23(8-10-24)31-14-13-27(44-31)19-29-34(42)28-17-18-38-22-30(28)35(29)43;38-33-29(34(39)32-31(33)35-18-19-36-32)21-28-16-17-30(40-28)23-11-13-26(14-12-23)37(25-8-2-1-3-9-25)27-15-10-22-6-4-5-7-24(22)20-27/h1-21H;7-22H,1-6H3;1-21H/b;29-19-;
InChIKeyWDUCIXNGCCKVHK-OCTBERJZSA-N
MW1820.20 g/mol
LogP28.29
Rot. Bonds17

About (6Z)-6-[[5-[4-[bis(6-tert-butyl-3-pyridinyl)amino]phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;6-[[5-[5-[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione

(6Z)-6-[[5-[4-[bis(6-tert-butyl-3-pyridinyl)amino]phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;6-[[5-[5-[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione (PubChem CID 161476526) has the molecular formula C109H76F2N10O6S5 and a molecular weight of 1820.20 g/mol. Its IUPAC name is (6Z)-6-[[5-[4-[bis(6-tert-butyl-3-pyridinyl)amino]phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;6-[[5-[5-[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione.

Molecular Properties

Compound Name(6Z)-6-[[5-[4-[bis(6-tert-butyl-3-pyridinyl)amino]phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;6-[[5-[5-[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione
PubChem CID161476526
Molecular FormulaC109H76F2N10O6S5
Molecular Weight1820.20 g/mol
Exact Mass1818.45
IUPAC Name(6Z)-6-[[5-[4-[bis(6-tert-butyl-3-pyridinyl)amino]phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;6-[[5-[5-[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccc(/C=C4/C(=O)c5ccncc5C4=O)s3)cc2)c2ccc(C(C)(C)C)nc2)cn1.O=C1C(=Cc2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccc(F)cc6)c6ccc(F)cc6)cc5)s4)s3)s2)C(=O)c2nccnc21.O=C1C(=Cc2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)s2)C(=O)c2nccnc21
InChIInChI=1S/C38H21F2N3O2S3.C37H34N4O2S.C34H21N3O2S/c39-23-3-9-26(10-4-23)43(27-11-5-24(40)6-12-27)25-7-1-22(2-8-25)30-15-16-33(47-30)34-18-17-32(48-34)31-14-13-28(46-31)21-29-37(44)35-36(38(29)45)42-20-19-41-35;1-36(2,3)32-15-11-25(20-39-32)41(26-12-16-33(40-21-26)37(4,5)6)24-9-7-23(8-10-24)31-14-13-27(44-31)19-29-34(42)28-17-18-38-22-30(28)35(29)43;38-33-29(34(39)32-31(33)35-18-19-36-32)21-28-16-17-30(40-28)23-11-13-26(14-12-23)37(25-8-2-1-3-9-25)27-15-10-22-6-4-5-7-24(22)20-27/h1-21H;7-22H,1-6H3;1-21H/b;29-19-;
InChIKeyWDUCIXNGCCKVHK-OCTBERJZSA-N
XLogP28.29
TPSA202.37 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001820.20
LogP ≤ 528.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (6Z)-6-[[5-[4-[bis(6-tert-butyl-3-pyridinyl)amino]phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;6-[[5-[5-[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione with MolForge

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Related Compounds

(6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;(6E)-6-[[4,4-difluoro-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(3,5-dimethylphenyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione
CID 157408781
2-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]indene-1,3-dione;2-[[4,4-difluoro-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]indene-1,3-dione;2-[[4,4-dimethyl-6-(N-naphthalen-1-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]indene-1,3-dione;2-[[4,4-dimethyl-6-(N-naphthalen-2-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]indene-1,3-dione;2-[[4,4-dimethyl-6-(N-pyridin-3-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]indene-1,3-dione
CID 157994307
(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
5-[[7,7-dimethyl-10-(4-methyl-N-naphthalen-2-ylanilino)-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]cyclopenta[c]thiophene-4,6-dione;5-[[7,7-dimethyl-10-(N-naphthalen-2-ylanilino)-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]cyclopenta[c]thiophene-4,6-dione;5-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]cyclopenta[c]thiophene-4,6-dione;5-[[7,7-dimethyl-10-(N-(4-phenylphenyl)anilino)-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]cyclopenta[c]thiophene-4,6-dione;5-[[10-(3,4-dimethyl-N-(3,4,5-trimethylphenyl)anilino)-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]cyclopenta[c]thiophene-4,6-dione
CID 157636917
CID 157945035
CID 157945035
(Z)-2-isocyano-3-[4-(16-phenyl-16-azahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(24),2(15),3,5,7,9,11,13,17(25),18,20,22-dodecaen-20-yl)phenyl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)naphthalen-2-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-3-pyridinyl]prop-2-enenitrile;(5E)-5-[[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]methylidene]cyclopenta[b]thiophene-4,6-dione;6-[[5-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-2-pyridinyl]methylidene]cyclopenta[b]pyrazine-5,7-dione
CID 159251789
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
(6E)-6-[[6-[N-(1-benzothiophen-2-yl)anilino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;6-[[6-[bis(2,6-dimethyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[6-(N-(3,5-ditert-butylphenyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]indene-1,3-dione;(6E)-6-[[4,4-dimethyl-6-(N-naphthalen-2-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione
CID 159817791
CID 159842142
CID 159842142
5-[[6'-(N-(2,6-dimethyl-4-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione;2-[[6-(4-methyl-N-(4-methylphenyl)anilino)spiro[indeno[1,2-b]thiophene-4,9'-indeno[2,1-b]pyridine]-2-yl]methylidene]indene-1,3-dione;2-[[6'-(N-(6-methyl-3-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;2-[[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;5-[[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione
CID 161497305
2-[[6-[bis(2,6-dimethyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-naphthalen-2-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-(dipyridin-3-ylamino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 161522842
5-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[c]thiophene-4,6-dione;5-[[6-(N-(2,6-dimethyl-4-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[c]thiophene-4,6-dione;6-[[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;(6E)-6-[[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(5E)-5-[[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[b]thiophene-4,6-dione;(6E)-6-[[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]pyridine-5,7-dione
CID 161733592

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[[5-[4-[bis(6-tert-butyl-3-pyridinyl)amino]phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;6-[[5-[5-[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione?
The IUPAC name of (6Z)-6-[[5-[4-[bis(6-tert-butyl-3-pyridinyl)amino]phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;6-[[5-[5-[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione (CID 161476526) is (6Z)-6-[[5-[4-[bis(6-tert-butyl-3-pyridinyl)amino]phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;6-[[5-[5-[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione.
What is the SMILES notation for (6Z)-6-[[5-[4-[bis(6-tert-butyl-3-pyridinyl)amino]phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;6-[[5-[5-[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione?
The canonical SMILES for (6Z)-6-[[5-[4-[bis(6-tert-butyl-3-pyridinyl)amino]phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;6-[[5-[5-[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione is CC(C)(C)c1ccc(N(c2ccc(-c3ccc(/C=C4/C(=O)c5ccncc5C4=O)s3)cc2)c2ccc(C(C)(C)C)nc2)cn1.O=C1C(=Cc2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccc(F)cc6)c6ccc(F)cc6)cc5)s4)s3)s2)C(=O)c2nccnc21.O=C1C(=Cc2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)s2)C(=O)c2nccnc21.
What is the InChIKey of (6Z)-6-[[5-[4-[bis(6-tert-butyl-3-pyridinyl)amino]phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;6-[[5-[5-[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione?
The InChIKey is WDUCIXNGCCKVHK-OCTBERJZSA-N. The full InChI is InChI=1S/C38H21F2N3O2S3.C37H34N4O2S.C34H21N3O2S/c39-23-3-9-26(10-4-23)43(27-11-5-24(40)6-12-27)25-7-1-22(2-8-25)30-15-16-33(47-30)34-18-17-32(48-34)31-14-13-28(46-31)21-29-37(44)35-36(38(29)45)42-20-19-41-35;1-36(2,3)32-15-11-25(20-39-32)41(26-12-16-33(40-21-26)37(4,5)6)24-9-7-23(8-10-24)31-14-13-27(44-31)19-29-34(42)28-17-18-38-22-30(28)35(29)43;38-33-29(34(39)32-31(33)35-18-19-36-32)21-28-16-17-30(40-28)23-11-13-26(14-12-23)37(25-8-2-1-3-9-25)27-15-10-22-6-4-5-7-24(22)20-27/h1-21H;7-22H,1-6H3;1-21H/b;29-19-;.
What are the key properties of (6Z)-6-[[5-[4-[bis(6-tert-butyl-3-pyridinyl)amino]phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;6-[[5-[5-[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione?
(6Z)-6-[[5-[4-[bis(6-tert-butyl-3-pyridinyl)amino]phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;6-[[5-[5-[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione has a molecular weight of 1820.20 g/mol, XLogP of 28.29, 17 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[[5-[4-[bis(6-tert-butyl-3-pyridinyl)amino]phenyl]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;6-[[5-[5-[5-[4-(4-fluoro-N-(4-fluorophenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[5-[4-(N-naphthalen-2-ylanilino)phenyl]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione is sourced from PubChem (CID 161476526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).