2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione

C34H22N2O2 — CID 160937263

IUPAC2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESO=C1C(=CC=C2N(c3ccccc3)c3ccccc3N2c2ccccc2)C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C34H22N2O2/c37-33-27(34(38)29-22-24-12-8-7-11-23(24)21-28(29)33)19-20-32-35(25-13-3-1-4-14-25)30-17-9-10-18-31(30)36(32)26-15-5-2-6-16-26/h1-22H
InChIKeyVMVXGZLXTGGTKE-UHFFFAOYSA-N
MW490.56 g/mol
LogP7.98
Rot. Bonds3

About 2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione

2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 160937263) has the molecular formula C34H22N2O2 and a molecular weight of 490.56 g/mol. Its IUPAC name is 2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

Compound Name2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione
PubChem CID160937263
Molecular FormulaC34H22N2O2
Molecular Weight490.56 g/mol
Exact Mass490.17
IUPAC Name2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESO=C1C(=CC=C2N(c3ccccc3)c3ccccc3N2c2ccccc2)C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C34H22N2O2/c37-33-27(34(38)29-22-24-12-8-7-11-23(24)21-28(29)33)19-20-32-35(25-13-3-1-4-14-25)30-17-9-10-18-31(30)36(32)26-15-5-2-6-16-26/h1-22H
InChIKeyVMVXGZLXTGGTKE-UHFFFAOYSA-N
XLogP7.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.56
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]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-[(2E)-2-(9,9-dimethyl-1,3-diphenylindeno[1,2-f]benzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione
CID 158644763
2-[2-[1,3-bis(2,3,4,5,6-pentadeuteriophenyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione
CID 160691061
2-[(9,9-dimethyl-10-phenylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 154970614
2-[(9,9-dimethyl-4-phenylthieno[3,2-b][1,4]benzazasilin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 154627973
2-[2-[1,3-bis[2,6-di(propan-2-yl)phenyl]-5,8-bis(trimethylsilyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione
CID 158701348
2-[(1E,3E)-5-(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)penta-1,3-dienyl]-3-oxocyclopenta[b]naphthalen-1-olate
CID 21335897
ethane;pentacene-6,13-dione
CID 91293848
heptacene-7,16-dione
CID 44720481
2-[[12,12-dimethyl-7-(4-phenoxyphenyl)benzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 121355550
(2E)-2-[(4-methoxyphenyl)methylidene]-1-phenylindol-3-one
CID 59748679
14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 59838794
2-[(1,5-diphenylthieno[2,3-d]imidazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 168735825

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione?
The IUPAC name of 2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione (CID 160937263) is 2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione.
What is the SMILES notation for 2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione?
The canonical SMILES for 2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione is O=C1C(=CC=C2N(c3ccccc3)c3ccccc3N2c2ccccc2)C(=O)c2cc3ccccc3cc21.
What is the InChIKey of 2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione?
The InChIKey is VMVXGZLXTGGTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N2O2/c37-33-27(34(38)29-22-24-12-8-7-11-23(24)21-28(29)33)19-20-32-35(25-13-3-1-4-14-25)30-17-9-10-18-31(30)36(32)26-15-5-2-6-16-26/h1-22H.
What are the key properties of 2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione?
2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 490.56 g/mol, XLogP of 7.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 160937263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).