2-[[10-(4-tert-butylphenyl)-9,9-dimethylacridin-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-10-naphthalen-1-ylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12-dimethyl-7-phenanthren-9-ylbenzo[a]acridin-3-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-7-(4-phenylphenyl)benzo[a]acridin-10-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione

C170H122N4O8 — CID 162149042

IUPAC2-[[10-(4-tert-butylphenyl)-9,9-dimethylacridin-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-10-naphthalen-1-ylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12-dimethyl-7-phenanthren-9-ylbenzo[a]acridin-3-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-7-(4-phenylphenyl)benzo[a]acridin-10-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESCC(C)(C)c1ccc(N2c3ccccc3C(C)(C)c3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)ccc32)cc1.CC1(C)c2cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)ccc2N(c2ccc(-c3ccccc3)cc2)c2ccc3ccccc3c21.CC1(C)c2ccccc2N(c2cc3ccccc3c3ccccc23)c2ccc3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)ccc3c21.CC1(C)c2ccccc2N(c2cccc3ccccc23)c2ccc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc21
InChIInChI=1S/C47H31NO2.C45H31NO2.C39H27NO2.C39H33NO2/c1-47(2)40-17-9-10-18-41(40)48(43-27-31-13-5-6-14-33(31)35-15-7-8-16-36(35)43)42-22-20-32-23-28(19-21-34(32)44(42)47)24-39-45(49)37-25-29-11-3-4-12-30(29)26-38(37)46(39)50;1-45(2)39-25-28(24-38-43(47)36-26-32-13-6-7-14-33(32)27-37(36)44(38)48)16-22-40(39)46(41-23-19-31-12-8-9-15-35(31)42(41)45)34-20-17-30(18-21-34)29-10-4-3-5-11-29;1-39(2)32-15-7-8-16-35(32)40(34-17-9-13-25-10-5-6-14-28(25)34)36-19-18-24(21-33(36)39)20-31-37(41)29-22-26-11-3-4-12-27(26)23-30(29)38(31)42;1-38(2,3)27-15-17-28(18-16-27)40-34-13-9-8-12-32(34)39(4,5)33-21-24(14-19-35(33)40)20-31-36(41)29-22-25-10-6-7-11-26(25)23-30(29)37(31)42/h3-27H,1-2H3;3-27H,1-2H3;3-23H,1-2H3;6-23H,1-5H3
InChIKeyZKYHMQBHBFTRGX-UHFFFAOYSA-N
MW2348.87 g/mol
LogP42.38
Rot. Bonds9

About 2-[[10-(4-tert-butylphenyl)-9,9-dimethylacridin-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-10-naphthalen-1-ylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12-dimethyl-7-phenanthren-9-ylbenzo[a]acridin-3-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-7-(4-phenylphenyl)benzo[a]acridin-10-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione

2-[[10-(4-tert-butylphenyl)-9,9-dimethylacridin-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-10-naphthalen-1-ylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12-dimethyl-7-phenanthren-9-ylbenzo[a]acridin-3-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-7-(4-phenylphenyl)benzo[a]acridin-10-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 162149042) has the molecular formula C170H122N4O8 and a molecular weight of 2348.87 g/mol. Its IUPAC name is 2-[[10-(4-tert-butylphenyl)-9,9-dimethylacridin-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-10-naphthalen-1-ylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12-dimethyl-7-phenanthren-9-ylbenzo[a]acridin-3-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-7-(4-phenylphenyl)benzo[a]acridin-10-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

Compound Name2-[[10-(4-tert-butylphenyl)-9,9-dimethylacridin-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-10-naphthalen-1-ylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12-dimethyl-7-phenanthren-9-ylbenzo[a]acridin-3-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-7-(4-phenylphenyl)benzo[a]acridin-10-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
PubChem CID162149042
Molecular FormulaC170H122N4O8
Molecular Weight2348.87 g/mol
Exact Mass2346.93
IUPAC Name2-[[10-(4-tert-butylphenyl)-9,9-dimethylacridin-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-10-naphthalen-1-ylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12-dimethyl-7-phenanthren-9-ylbenzo[a]acridin-3-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-7-(4-phenylphenyl)benzo[a]acridin-10-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESCC(C)(C)c1ccc(N2c3ccccc3C(C)(C)c3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)ccc32)cc1.CC1(C)c2cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)ccc2N(c2ccc(-c3ccccc3)cc2)c2ccc3ccccc3c21.CC1(C)c2ccccc2N(c2cc3ccccc3c3ccccc23)c2ccc3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)ccc3c21.CC1(C)c2ccccc2N(c2cccc3ccccc23)c2ccc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc21
InChIInChI=1S/C47H31NO2.C45H31NO2.C39H27NO2.C39H33NO2/c1-47(2)40-17-9-10-18-41(40)48(43-27-31-13-5-6-14-33(31)35-15-7-8-16-36(35)43)42-22-20-32-23-28(19-21-34(32)44(42)47)24-39-45(49)37-25-29-11-3-4-12-30(29)26-38(37)46(39)50;1-45(2)39-25-28(24-38-43(47)36-26-32-13-6-7-14-33(32)27-37(36)44(38)48)16-22-40(39)46(41-23-19-31-12-8-9-15-35(31)42(41)45)34-20-17-30(18-21-34)29-10-4-3-5-11-29;1-39(2)32-15-7-8-16-35(32)40(34-17-9-13-25-10-5-6-14-28(25)34)36-19-18-24(21-33(36)39)20-31-37(41)29-22-26-11-3-4-12-27(26)23-30(29)38(31)42;1-38(2,3)27-15-17-28(18-16-27)40-34-13-9-8-12-32(34)39(4,5)33-21-24(14-19-35(33)40)20-31-36(41)29-22-25-10-6-7-11-26(25)23-30(29)37(31)42/h3-27H,1-2H3;3-27H,1-2H3;3-23H,1-2H3;6-23H,1-5H3
InChIKeyZKYHMQBHBFTRGX-UHFFFAOYSA-N
XLogP42.38
TPSA149.52 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002348.87
LogP ≤ 542.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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_3', 'substructure': 'N/A'}

Analyze 2-[[10-(4-tert-butylphenyl)-9,9-dimethylacridin-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-10-naphthalen-1-ylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12-dimethyl-7-phenanthren-9-ylbenzo[a]acridin-3-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-7-(4-phenylphenyl)benzo[a]acridin-10-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione with MolForge

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Related Compounds

2-[[7-(4-tert-butylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 51348973
2-[[13-(9,9-dimethylfluoren-2-yl)-2,2-dimethyl-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]naphthalene-1,3-dione;2-[[2,2-dimethyl-13-(4-phenylphenyl)-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]naphthalene-1,3-dione;2-[[13-(4-fluorophenyl)-2,2-dimethyl-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]naphthalene-1,3-dione
CID 160703813
2-[[12,12-dimethyl-7-(4-phenoxyphenyl)benzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 121355550
2-[(9,9-dimethyl-10-phenylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 154970614
2-[[7-(9,9-dimethylfluoren-2-yl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]benzo[b]acridin-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(3,5-diphenylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12,18,18-tetramethyl-1-azahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5(10),6,8,13,15,17(25),19,21,23-undecaen-7-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 158434322
2-[[12,12-dimethyl-7-[4-(sulfanylmethyl)phenyl]benzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 134590473
2-[[12,12-dimethyl-7-(3-methylphenyl)benzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 121355532
2-[[7-(3,5-dimethoxyphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 121359872
2-[[12,12-dimethyl-7-(3,4,5-trimethylphenyl)benzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 121355534
2-[(12,12-dimethyl-10-methylsulfanyl-7-phenylbenzo[a]acridin-3-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 121355530
(2Z)-2-[[10-(2-fluoropropan-2-yl)-12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl]methylidene]-1-iminocyclopenta[b]naphthalen-3-one
CID 163639473
2-[[7,7-dimethyl-12-(4-methylphenyl)naphtho[1,2-b]quinolin-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 121355556

Frequently Asked Questions

What is the IUPAC name of 2-[[10-(4-tert-butylphenyl)-9,9-dimethylacridin-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-10-naphthalen-1-ylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12-dimethyl-7-phenanthren-9-ylbenzo[a]acridin-3-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-7-(4-phenylphenyl)benzo[a]acridin-10-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?
The IUPAC name of 2-[[10-(4-tert-butylphenyl)-9,9-dimethylacridin-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-10-naphthalen-1-ylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12-dimethyl-7-phenanthren-9-ylbenzo[a]acridin-3-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-7-(4-phenylphenyl)benzo[a]acridin-10-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 162149042) is 2-[[10-(4-tert-butylphenyl)-9,9-dimethylacridin-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-10-naphthalen-1-ylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12-dimethyl-7-phenanthren-9-ylbenzo[a]acridin-3-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-7-(4-phenylphenyl)benzo[a]acridin-10-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione.
What is the SMILES notation for 2-[[10-(4-tert-butylphenyl)-9,9-dimethylacridin-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-10-naphthalen-1-ylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12-dimethyl-7-phenanthren-9-ylbenzo[a]acridin-3-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-7-(4-phenylphenyl)benzo[a]acridin-10-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?
The canonical SMILES for 2-[[10-(4-tert-butylphenyl)-9,9-dimethylacridin-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-10-naphthalen-1-ylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12-dimethyl-7-phenanthren-9-ylbenzo[a]acridin-3-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-7-(4-phenylphenyl)benzo[a]acridin-10-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione is CC(C)(C)c1ccc(N2c3ccccc3C(C)(C)c3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)ccc32)cc1.CC1(C)c2cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)ccc2N(c2ccc(-c3ccccc3)cc2)c2ccc3ccccc3c21.CC1(C)c2ccccc2N(c2cc3ccccc3c3ccccc23)c2ccc3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)ccc3c21.CC1(C)c2ccccc2N(c2cccc3ccccc23)c2ccc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc21.
What is the InChIKey of 2-[[10-(4-tert-butylphenyl)-9,9-dimethylacridin-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-10-naphthalen-1-ylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12-dimethyl-7-phenanthren-9-ylbenzo[a]acridin-3-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-7-(4-phenylphenyl)benzo[a]acridin-10-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?
The InChIKey is ZKYHMQBHBFTRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31NO2.C45H31NO2.C39H27NO2.C39H33NO2/c1-47(2)40-17-9-10-18-41(40)48(43-27-31-13-5-6-14-33(31)35-15-7-8-16-36(35)43)42-22-20-32-23-28(19-21-34(32)44(42)47)24-39-45(49)37-25-29-11-3-4-12-30(29)26-38(37)46(39)50;1-45(2)39-25-28(24-38-43(47)36-26-32-13-6-7-14-33(32)27-37(36)44(38)48)16-22-40(39)46(41-23-19-31-12-8-9-15-35(31)42(41)45)34-20-17-30(18-21-34)29-10-4-3-5-11-29;1-39(2)32-15-7-8-16-35(32)40(34-17-9-13-25-10-5-6-14-28(25)34)36-19-18-24(21-33(36)39)20-31-37(41)29-22-26-11-3-4-12-27(26)23-30(29)38(31)42;1-38(2,3)27-15-17-28(18-16-27)40-34-13-9-8-12-32(34)39(4,5)33-21-24(14-19-35(33)40)20-31-36(41)29-22-25-10-6-7-11-26(25)23-30(29)37(31)42/h3-27H,1-2H3;3-27H,1-2H3;3-23H,1-2H3;6-23H,1-5H3.
What are the key properties of 2-[[10-(4-tert-butylphenyl)-9,9-dimethylacridin-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-10-naphthalen-1-ylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12-dimethyl-7-phenanthren-9-ylbenzo[a]acridin-3-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-7-(4-phenylphenyl)benzo[a]acridin-10-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?
2-[[10-(4-tert-butylphenyl)-9,9-dimethylacridin-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-10-naphthalen-1-ylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12-dimethyl-7-phenanthren-9-ylbenzo[a]acridin-3-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-7-(4-phenylphenyl)benzo[a]acridin-10-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 2348.87 g/mol, XLogP of 42.38, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[10-(4-tert-butylphenyl)-9,9-dimethylacridin-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-10-naphthalen-1-ylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12-dimethyl-7-phenanthren-9-ylbenzo[a]acridin-3-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-7-(4-phenylphenyl)benzo[a]acridin-10-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 162149042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).