(2E)-2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]-8a,9-dihydrocyclopenta[b]naphthalene-1,3-dione

C34H33NO2 — CID 154970529

IUPAC(2E)-2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]-8a,9-dihydrocyclopenta[b]naphthalene-1,3-dione
SMILESCN1c2ccc(/C=C3/C(=O)C4=C(CC5C=CC=CC5=C4)C3=O)cc2C(C)(C)c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C34H33NO2/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/h7-17,19,22H,18H2,1-6H3/b26-15-
InChIKeyCBYGGUIMSZDFKG-YSMPRRRNSA-N
MW487.64 g/mol
LogP7.30
Rot. Bonds1

About (2E)-2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]-8a,9-dihydrocyclopenta[b]naphthalene-1,3-dione

(2E)-2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]-8a,9-dihydrocyclopenta[b]naphthalene-1,3-dione (PubChem CID 154970529) has the molecular formula C34H33NO2 and a molecular weight of 487.64 g/mol. Its IUPAC name is (2E)-2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]-8a,9-dihydrocyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

Compound Name(2E)-2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]-8a,9-dihydrocyclopenta[b]naphthalene-1,3-dione
PubChem CID154970529
Molecular FormulaC34H33NO2
Molecular Weight487.64 g/mol
Exact Mass487.25
IUPAC Name(2E)-2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]-8a,9-dihydrocyclopenta[b]naphthalene-1,3-dione
SMILESCN1c2ccc(/C=C3/C(=O)C4=C(CC5C=CC=CC5=C4)C3=O)cc2C(C)(C)c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C34H33NO2/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/h7-17,19,22H,18H2,1-6H3/b26-15-
InChIKeyCBYGGUIMSZDFKG-YSMPRRRNSA-N
XLogP7.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.64
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E)-2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]-8a,9-dihydrocyclopenta[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-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 154970552
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-[(5,12,12-trimethyl-7,8,9,10-tetrahydrobenzo[b]acridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 154970554
7-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one
CID 59264599
(5-tert-butyl-1,3-dimethyl-2-oxoindol-3-yl)methyl thiocyanate
CID 135045386
2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine
CID 135248210
2-[(9,9-dimethyl-10-phenylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 154970614
3-(5-tert-butyl-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile
CID 132558232
2-[(10-cyclohexyl-9,9-dimethylacridin-2-yl)methylidene]cyclopenta[b]anthracene-1,3-dione
CID 154970569
5,17-ditert-butyl-11-(5,17-ditert-butyl-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 90330294
5,6-dichloro-2-[[10-ethyl-9,9-dimethyl-7-(2,4,6-trimethylphenyl)acridin-2-yl]methylidene]indene-1,3-dione
CID 154970647
6,12,17,23-tetratert-butyl-9,9,20,20-tetramethyl-1,2-diazaheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-3(8),4,6,10,12,14(28),15(27),16,18,21(26),22,24-dodecaene
CID 122382643

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]-8a,9-dihydrocyclopenta[b]naphthalene-1,3-dione?
The IUPAC name of (2E)-2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]-8a,9-dihydrocyclopenta[b]naphthalene-1,3-dione (CID 154970529) is (2E)-2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]-8a,9-dihydrocyclopenta[b]naphthalene-1,3-dione.
What is the SMILES notation for (2E)-2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]-8a,9-dihydrocyclopenta[b]naphthalene-1,3-dione?
The canonical SMILES for (2E)-2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]-8a,9-dihydrocyclopenta[b]naphthalene-1,3-dione is CN1c2ccc(/C=C3/C(=O)C4=C(CC5C=CC=CC5=C4)C3=O)cc2C(C)(C)c2cc(C(C)(C)C)ccc21.
What is the InChIKey of (2E)-2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]-8a,9-dihydrocyclopenta[b]naphthalene-1,3-dione?
The InChIKey is CBYGGUIMSZDFKG-YSMPRRRNSA-N. The full InChI is InChI=1S/C34H33NO2/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/h7-17,19,22H,18H2,1-6H3/b26-15-.
What are the key properties of (2E)-2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]-8a,9-dihydrocyclopenta[b]naphthalene-1,3-dione?
(2E)-2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]-8a,9-dihydrocyclopenta[b]naphthalene-1,3-dione has a molecular weight of 487.64 g/mol, XLogP of 7.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]-8a,9-dihydrocyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 154970529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).