2-[(9,9-dimethyl-10-phenylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione

C35H25NO2 — CID 154970614

IUPAC2-[(9,9-dimethyl-10-phenylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc21
InChIInChI=1S/C35H25NO2/c1-35(2)29-14-8-9-15-31(29)36(25-12-4-3-5-13-25)32-17-16-22(19-30(32)35)18-28-33(37)26-20-23-10-6-7-11-24(23)21-27(26)34(28)38/h3-21H,1-2H3
InChIKeyTZTFZDVRBXCKIR-UHFFFAOYSA-N
MW491.59 g/mol
LogP8.41
Rot. Bonds2

About 2-[(9,9-dimethyl-10-phenylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione

2-[(9,9-dimethyl-10-phenylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 154970614) has the molecular formula C35H25NO2 and a molecular weight of 491.59 g/mol. Its IUPAC name is 2-[(9,9-dimethyl-10-phenylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

Compound Name2-[(9,9-dimethyl-10-phenylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
PubChem CID154970614
Molecular FormulaC35H25NO2
Molecular Weight491.59 g/mol
Exact Mass491.19
IUPAC Name2-[(9,9-dimethyl-10-phenylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc21
InChIInChI=1S/C35H25NO2/c1-35(2)29-14-8-9-15-31(29)36(25-12-4-3-5-13-25)32-17-16-22(19-30(32)35)18-28-33(37)26-20-23-10-6-7-11-24(23)21-27(26)34(28)38/h3-21H,1-2H3
InChIKeyTZTFZDVRBXCKIR-UHFFFAOYSA-N
XLogP8.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.59
LogP ≤ 58.41
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'}

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Related Compounds

2-[[12,12-dimethyl-7-(4-phenoxyphenyl)benzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 121355550
2-[[7-(4-tert-butylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 51348973
2-[[12,12-dimethyl-7-(3-methylphenyl)benzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 121355532
2-[[7,7-dimethyl-12-(4-methylphenyl)naphtho[1,2-b]quinolin-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 121355556
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-7-[4-(sulfanylmethyl)phenyl]benzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 134590473
2-[(10-cyclohexyl-9,9-dimethylacridin-2-yl)methylidene]cyclopenta[b]anthracene-1,3-dione
CID 154970569
2-[(12,12-dimethyl-10-methylsulfanyl-7-phenylbenzo[a]acridin-3-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 121355530
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
2-[(7-tert-butyl-9,9,10-trimethylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 154970552
2-[[7-[(1,3-dioxoinden-2-ylidene)methyl]-10-phenylspiro[acridine-9,9'-fluorene]-2-yl]methylidene]indene-1,3-dione
CID 155430396

Frequently Asked Questions

What is the IUPAC name of 2-[(9,9-dimethyl-10-phenylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The IUPAC name of 2-[(9,9-dimethyl-10-phenylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 154970614) is 2-[(9,9-dimethyl-10-phenylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.
What is the SMILES notation for 2-[(9,9-dimethyl-10-phenylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The canonical SMILES for 2-[(9,9-dimethyl-10-phenylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc21.
What is the InChIKey of 2-[(9,9-dimethyl-10-phenylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The InChIKey is TZTFZDVRBXCKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25NO2/c1-35(2)29-14-8-9-15-31(29)36(25-12-4-3-5-13-25)32-17-16-22(19-30(32)35)18-28-33(37)26-20-23-10-6-7-11-24(23)21-27(26)34(28)38/h3-21H,1-2H3.
What are the key properties of 2-[(9,9-dimethyl-10-phenylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
2-[(9,9-dimethyl-10-phenylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 491.59 g/mol, XLogP of 8.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9,9-dimethyl-10-phenylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 154970614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).