2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione

C34H31NO2 — CID 154970552

IUPAC2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESCN1c2ccc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc2C(C)(C)c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C34H31NO2/c1-33(2,3)23-12-14-30-28(19-23)34(4,5)27-16-20(11-13-29(27)35(30)6)15-26-31(36)24-17-21-9-7-8-10-22(21)18-25(24)32(26)37/h7-19H,1-6H3
InChIKeyDZZAIEDPOHHCGC-UHFFFAOYSA-N
MW485.63 g/mol
LogP8.01
Rot. Bonds1

About 2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione

2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 154970552) has the molecular formula C34H31NO2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

Compound Name2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
PubChem CID154970552
Molecular FormulaC34H31NO2
Molecular Weight485.63 g/mol
Exact Mass485.24
IUPAC Name2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESCN1c2ccc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc2C(C)(C)c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C34H31NO2/c1-33(2,3)23-12-14-30-28(19-23)34(4,5)27-16-20(11-13-29(27)35(30)6)15-26-31(36)24-17-21-9-7-8-10-22(21)18-25(24)32(26)37/h7-19H,1-6H3
InChIKeyDZZAIEDPOHHCGC-UHFFFAOYSA-N
XLogP8.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze 2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5,12,12-trimethyl-7,8,9,10-tetrahydrobenzo[b]acridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 154970554
2-[(9,9-dimethyl-10-phenylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 154970614
2-[(2E)-2-(5-tert-butyl-3,3-dimethyl-1-propan-2-ylindol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione
CID 155448375
2-[[7-(4-tert-butylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 51348973
2-[(10-cyclohexyl-9,9-dimethylacridin-2-yl)methylidene]cyclopenta[b]anthracene-1,3-dione
CID 154970569
2-[[7,7-dimethyl-12-(4-methylphenyl)naphtho[1,2-b]quinolin-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 121355556
(2E)-2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]-8a,9-dihydrocyclopenta[b]naphthalene-1,3-dione
CID 154970529
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
(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-tert-butyl-7-[5-(7-tert-butyl-9,9,10-trimethylacridin-2-yl)-2,5-dimethylhexan-2-yl]-9,9,10-trimethylacridine
CID 145186373
2-[[9,9-di(propan-2-yl)-10-(2,4,6-trimethylphenyl)acridin-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 155430014
2-[(12,12-dimethyl-10-methylsulfanyl-7-phenylbenzo[a]acridin-3-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 121355530

Frequently Asked Questions

What is the IUPAC name of 2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The IUPAC name of 2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 154970552) is 2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.
What is the SMILES notation for 2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The canonical SMILES for 2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is CN1c2ccc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc2C(C)(C)c2cc(C(C)(C)C)ccc21.
What is the InChIKey of 2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The InChIKey is DZZAIEDPOHHCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31NO2/c1-33(2,3)23-12-14-30-28(19-23)34(4,5)27-16-20(11-13-29(27)35(30)6)15-26-31(36)24-17-21-9-7-8-10-22(21)18-25(24)32(26)37/h7-19H,1-6H3.
What are the key properties of 2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 485.63 g/mol, XLogP of 8.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 154970552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).