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

C152H99FN4O8S4 — CID 161048779

IUPAC2-[[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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc(C=C4C(=O)c5cc6ccccc6cc5C4=O)s3)cc21.Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C3\C(=O)c4cc5cc6ccc(F)cc6cc5cc4C3=O)s2)cc1.O=C1C(=Cc2ccc(-n3c4ccccc4c4ccccc43)s2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc(N(c3ccccc3)c3ccc4cc5ccccc5cc4c3)s2)C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C48H35NO2S.C38H23NO2S.C36H24FNO2S.C30H17NO2S/c1-47(2)40-15-9-7-13-33(40)35-20-17-30(25-42(35)47)49(31-18-21-36-34-14-8-10-16-41(34)48(3,4)43(36)26-31)44-22-19-32(52-44)27-39-45(50)37-23-28-11-5-6-12-29(28)24-38(37)46(39)51;40-37-33-21-26-10-6-7-11-27(26)22-34(33)38(41)35(37)23-32-16-17-36(42-32)39(30-12-2-1-3-13-30)31-15-14-28-18-24-8-4-5-9-25(24)19-29(28)20-31;1-21-3-9-28(10-4-21)38(29-11-5-22(2)6-12-29)34-14-13-30(41-34)20-33-35(39)31-18-25-15-23-7-8-27(37)17-24(23)16-26(25)19-32(31)36(33)40;32-29-23-15-18-7-1-2-8-19(18)16-24(23)30(33)25(29)17-20-13-14-28(34-20)31-26-11-5-3-9-21(26)22-10-4-6-12-27(22)31/h5-27H,1-4H3;1-23H;3-20H,1-2H3;1-17H/b;;33-20+;
InChIKeyUBVUVKVZHPRNSK-UEGBHKTDSA-N
MW2256.75 g/mol
LogP39.79
Rot. Bonds14

About 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

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 (PubChem CID 161048779) has the molecular formula C152H99FN4O8S4 and a molecular weight of 2256.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID161048779
Molecular FormulaC152H99FN4O8S4
Molecular Weight2256.75 g/mol
Exact Mass2254.63
IUPAC Name2-[[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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc(C=C4C(=O)c5cc6ccccc6cc5C4=O)s3)cc21.Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C3\C(=O)c4cc5cc6ccc(F)cc6cc5cc4C3=O)s2)cc1.O=C1C(=Cc2ccc(-n3c4ccccc4c4ccccc43)s2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc(N(c3ccccc3)c3ccc4cc5ccccc5cc4c3)s2)C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C48H35NO2S.C38H23NO2S.C36H24FNO2S.C30H17NO2S/c1-47(2)40-15-9-7-13-33(40)35-20-17-30(25-42(35)47)49(31-18-21-36-34-14-8-10-16-41(34)48(3,4)43(36)26-31)44-22-19-32(52-44)27-39-45(50)37-23-28-11-5-6-12-29(28)24-38(37)46(39)51;40-37-33-21-26-10-6-7-11-27(26)22-34(33)38(41)35(37)23-32-16-17-36(42-32)39(30-12-2-1-3-13-30)31-15-14-28-18-24-8-4-5-9-25(24)19-29(28)20-31;1-21-3-9-28(10-4-21)38(29-11-5-22(2)6-12-29)34-14-13-30(41-34)20-33-35(39)31-18-25-15-23-7-8-27(37)17-24(23)16-26(25)19-32(31)36(33)40;32-29-23-15-18-7-1-2-8-19(18)16-24(23)30(33)25(29)17-20-13-14-28(34-20)31-26-11-5-3-9-21(26)22-10-4-6-12-27(22)31/h5-27H,1-4H3;1-23H;3-20H,1-2H3;1-17H/b;;33-20+;
InChIKeyUBVUVKVZHPRNSK-UEGBHKTDSA-N
XLogP39.79
TPSA151.21 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002256.75
LogP ≤ 539.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

(2E)-2-[[5-[3-[4-(N-[5-[(E)-(6-fluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]thiophen-2-yl]anilino)naphthalen-2-yl]-N-naphthalen-1-ylanilino]thiophen-2-yl]methylidene]cyclopenta[b]quinoline-1,3-dione
CID 132156375
18'-tert-butyl-3-carbazol-9-yl-21',21'-dimethylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-14'-one;21',21'-dimethyl-2-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;21',21'-dimethyl-2-(N-phenylanilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;2-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-21',21'-difluorospiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one
CID 165010633
(2Z)-2-[(2Z)-2-[[20-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-14-heptadecan-9-yl-5,5,23,23-tetrakis(4-octylphenyl)-9,19-dithia-14-azaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2,4(11),6(10),7,12,15,17(24),18(22),20-decaen-8-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile
CID 168128390
2-[[20-[(5,6-Difluoro-1,3-dioxoinden-2-ylidene)methyl]-14-heptadecan-9-yl-5,5,23,23-tetrakis(4-octylphenyl)-9,19-dithia-14-azaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2,4(11),6(10),7,12,15,17(24),18(22),20-decaen-8-yl]methylidene]-5,6-difluoroindene-1,3-dione
CID 168128412
(2Z)-2-[(2Z)-2-[[20-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-14-heptadecan-9-yl-5,5,23,23-tetrakis(4-octylphenyl)-9,19-dithia-14-azaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2,4(11),12,15,17(24),18(22),20-octaen-8-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile
CID 168128423
5,6-Difluoro-2-[(15-phenyl-3,7-dithia-1-azaheptacyclo[12.9.2.02,9.04,8.010,25.017,24.018,23]pentacosa-2(9),4(8),5,10,12,14,16,18,20,22,24-undecaen-6-yl)methylidene]indene-1,3-dione
CID 176682141
5,6-Difluoro-2-[(13-phenyl-3-thia-1-azahexacyclo[9.9.2.02,6.07,22.014,21.015,20]docosa-2(6),4,7,9,11,13,15,17,19,21-decaen-4-yl)methylidene]indene-1,3-dione
CID 176682313
2-[[15-[(6,7-Difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione
CID 164959932
5-[5-[1-(9,9-dimethylfluoren-2-yl)-2-phenyl-4,5-dihydro-3H-benzo[cd]indol-7-yl]thiophen-2-yl]thiophene-2-carbaldehyde
CID 57772527
5-[5-[1-(9,9-dimethylfluoren-2-yl)-2-phenyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]thiophen-2-yl]thiophene-2-carbaldehyde
CID 57772531
[3-Benzoyl-5-[2,7-bis(5-naphthalen-1-ylthiophen-2-yl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-phenylmethanone
CID 58084718
2-[(5-Carbazol-9-ylthiophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 58203052

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc(C=C4C(=O)c5cc6ccccc6cc5C4=O)s3)cc21.Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C3\C(=O)c4cc5cc6ccc(F)cc6cc5cc4C3=O)s2)cc1.O=C1C(=Cc2ccc(-n3c4ccccc4c4ccccc43)s2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc(N(c3ccccc3)c3ccc4cc5ccccc5cc4c3)s2)C(=O)c2cc3ccccc3cc21.
What is the InChIKey of 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?
The InChIKey is UBVUVKVZHPRNSK-UEGBHKTDSA-N. The full InChI is InChI=1S/C48H35NO2S.C38H23NO2S.C36H24FNO2S.C30H17NO2S/c1-47(2)40-15-9-7-13-33(40)35-20-17-30(25-42(35)47)49(31-18-21-36-34-14-8-10-16-41(34)48(3,4)43(36)26-31)44-22-19-32(52-44)27-39-45(50)37-23-28-11-5-6-12-29(28)24-38(37)46(39)51;40-37-33-21-26-10-6-7-11-27(26)22-34(33)38(41)35(37)23-32-16-17-36(42-32)39(30-12-2-1-3-13-30)31-15-14-28-18-24-8-4-5-9-25(24)19-29(28)20-31;1-21-3-9-28(10-4-21)38(29-11-5-22(2)6-12-29)34-14-13-30(41-34)20-33-35(39)31-18-25-15-23-7-8-27(37)17-24(23)16-26(25)19-32(31)36(33)40;32-29-23-15-18-7-1-2-8-19(18)16-24(23)30(33)25(29)17-20-13-14-28(34-20)31-26-11-5-3-9-21(26)22-10-4-6-12-27(22)31/h5-27H,1-4H3;1-23H;3-20H,1-2H3;1-17H/b;;33-20+;.
What are the key properties of 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?
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 has a molecular weight of 2256.75 g/mol, XLogP of 39.79, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161048779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).