(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

C185H141F3N8O14S — CID 163635113

About (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

(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 (PubChem CID 163635113) has the molecular formula C185H141F3N8O14S and a molecular weight of 2789.27 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 163635113
• Molecular Formula: C185H141F3N8O14S
• Molecular Weight: 2789.27 g/mol
• Exact Mass: 2787.02
• IUPAC Name: (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
• SMILES: CC1(C)c2cc(C=C3C(=O)c4ccccc4C3=O)ccc2N(C2CCCCC2)c2ccc(C=C3C(=O)c4ccccc4C3=O)cc21.CN1c2ccc(/C=C3/C(=O)c4ccc(C(C)(C)C)cc4C3=O)cc2C(C)(C)c2cc(-c3c(F)cc(F)cc3F)ccc21.CN1c2ccc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc2C(C)(C)c2cc(-c3ccccn3)ccc21.CN1c2ccc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc2C(C)(C)c2cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)ccc21.Cc1ccsc1-c1ccc2c(c1)C(C)(C)c1cc(C=C3C(=O)c4nccnc4C3=O)ccc1N2C
• InChI: InChI=1S/C44H29NO4.C41H33NO4.C36H30F3NO2.C35H26N2O2.C29H23N3O2S/c1-44(2)36-18-24(16-34-40(46)30-20-26-8-4-5-9-27(26)21-31(30)41(34)47)12-14-38(36)45(3)39-15-13-25(19-37(39)44)17-35-42(48)32-22-28-10-6-7-11-29(28)23-33(32)43(35)49;1-41(2)33-22-24(20-31-37(43)27-12-6-7-13-28(27)38(31)44)16-18-35(33)42(26-10-4-3-5-11-26)36-19-17-25(23-34(36)41)21-32-39(45)29-14-8-9-15-30(29)40(32)46;1-35(2,3)21-9-10-23-24(16-21)34(42)25(33(23)41)13-19-7-11-30-26(14-19)36(4,5)27-15-20(8-12-31(27)40(30)6)32-28(38)17-22(37)18-29(32)39;1-35(2)28-17-21(16-27-33(38)25-18-22-8-4-5-9-23(22)19-26(25)34(27)39)11-13-31(28)37(3)32-14-12-24(20-29(32)35)30-10-6-7-15-36-30;1-16-9-12-35-28(16)18-6-8-23-21(15-18)29(2,3)20-14-17(5-7-22(20)32(23)4)13-19-26(33)24-25(27(19)34)31-11-10-30-24/h4-23H,1-3H3;6-9,12-23,26H,3-5,10-11H2,1-2H3;7-18H,1-6H3;4-20H,1-3H3;5-15H,1-4H3/b;;25-13-
• InChIKey: HZKQKTIAYWZNBB-KTVJGYECSA-N
• XLogP: 41.14
• TPSA: 293.85 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 11
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2789.27
LogP ≤ 5	41.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

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'}

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is CC1(C)c2cc(C=C3C(=O)c4ccccc4C3=O)ccc2N(C2CCCCC2)c2ccc(C=C3C(=O)c4ccccc4C3=O)cc21.CN1c2ccc(/C=C3/C(=O)c4ccc(C(C)(C)C)cc4C3=O)cc2C(C)(C)c2cc(-c3c(F)cc(F)cc3F)ccc21.CN1c2ccc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc2C(C)(C)c2cc(-c3ccccn3)ccc21.CN1c2ccc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc2C(C)(C)c2cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)ccc21.Cc1ccsc1-c1ccc2c(c1)C(C)(C)c1cc(C=C3C(=O)c4nccnc4C3=O)ccc1N2C.

What is the InChIKey of (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?

The InChIKey is HZKQKTIAYWZNBB-KTVJGYECSA-N. The full InChI is InChI=1S/C44H29NO4.C41H33NO4.C36H30F3NO2.C35H26N2O2.C29H23N3O2S/c1-44(2)36-18-24(16-34-40(46)30-20-26-8-4-5-9-27(26)21-31(30)41(34)47)12-14-38(36)45(3)39-15-13-25(19-37(39)44)17-35-42(48)32-22-28-10-6-7-11-29(28)23-33(32)43(35)49;1-41(2)33-22-24(20-31-37(43)27-12-6-7-13-28(27)38(31)44)16-18-35(33)42(26-10-4-3-5-11-26)36-19-17-25(23-34(36)41)21-32-39(45)29-14-8-9-15-30(29)40(32)46;1-35(2,3)21-9-10-23-24(16-21)34(42)25(33(23)41)13-19-7-11-30-26(14-19)36(4,5)27-15-20(8-12-31(27)40(30)6)32-28(38)17-22(37)18-29(32)39;1-35(2)28-17-21(16-27-33(38)25-18-22-8-4-5-9-23(22)19-26(25)34(27)39)11-13-31(28)37(3)32-14-12-24(20-29(32)35)30-10-6-7-15-36-30;1-16-9-12-35-28(16)18-6-8-23-21(15-18)29(2,3)20-14-17(5-7-22(20)32(23)4)13-19-26(33)24-25(27(19)34)31-11-10-30-24/h4-23H,1-3H3;6-9,12-23,26H,3-5,10-11H2,1-2H3;7-18H,1-6H3;4-20H,1-3H3;5-15H,1-4H3/b;;25-13-;;.

What are the key properties of (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?

(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 has a molecular weight of 2789.27 g/mol, XLogP of 41.14, 11 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 163635113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).