(6Z)-6-[[4-(N-[4-[4-(N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]methylidene]cyclopenta[b]pyridine-5,7-dione

C55H35N3O4 — CID 20617925

IUPAC(6Z)-6-[[4-(N-[4-[4-(N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]methylidene]cyclopenta[b]pyridine-5,7-dione
SMILESO=C1C(=Cc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(/C=C6/C(=O)c7cccnc7C6=O)cc5)cc4)cc3)cc2)C(=O)c2ccccc21
InChIInChI=1S/C55H35N3O4/c59-52-46-14-7-8-15-47(46)53(60)49(52)34-36-17-25-42(26-18-36)57(40-10-3-1-4-11-40)44-29-21-38(22-30-44)39-23-31-45(32-24-39)58(41-12-5-2-6-13-41)43-27-19-37(20-28-43)35-50-54(61)48-16-9-33-56-51(48)55(50)62/h1-35H/b50-35-
InChIKeyLMUXPRNGBLSXJC-PCIFVOTLSA-N
MW801.90 g/mol
LogP12.61
Rot. Bonds9

About (6Z)-6-[[4-(N-[4-[4-(N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]methylidene]cyclopenta[b]pyridine-5,7-dione

(6Z)-6-[[4-(N-[4-[4-(N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]methylidene]cyclopenta[b]pyridine-5,7-dione (PubChem CID 20617925) has the molecular formula C55H35N3O4 and a molecular weight of 801.90 g/mol. Its IUPAC name is (6Z)-6-[[4-(N-[4-[4-(N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]methylidene]cyclopenta[b]pyridine-5,7-dione.

Molecular Properties

Compound Name(6Z)-6-[[4-(N-[4-[4-(N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]methylidene]cyclopenta[b]pyridine-5,7-dione
PubChem CID20617925
Molecular FormulaC55H35N3O4
Molecular Weight801.90 g/mol
Exact Mass801.26
IUPAC Name(6Z)-6-[[4-(N-[4-[4-(N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]methylidene]cyclopenta[b]pyridine-5,7-dione
SMILESO=C1C(=Cc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(/C=C6/C(=O)c7cccnc7C6=O)cc5)cc4)cc3)cc2)C(=O)c2ccccc21
InChIInChI=1S/C55H35N3O4/c59-52-46-14-7-8-15-47(46)53(60)49(52)34-36-17-25-42(26-18-36)57(40-10-3-1-4-11-40)44-29-21-38(22-30-44)39-23-31-45(32-24-39)58(41-12-5-2-6-13-41)43-27-19-37(20-28-43)35-50-54(61)48-16-9-33-56-51(48)55(50)62/h1-35H/b50-35-
InChIKeyLMUXPRNGBLSXJC-PCIFVOTLSA-N
XLogP12.61
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.90
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 (6Z)-6-[[4-(N-[4-[4-(N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]methylidene]cyclopenta[b]pyridine-5,7-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-(p-Dimethylaminophenyl)-4-azaindan-1,3-dione
CID 4123655
(2,3-Dibenzoylpyrrolo[2,1-a]isoquinolin-1-yl)-phenylmethanone
CID 10345044
(2,3-Dibenzoylindolizin-1-yl)-phenylmethanone
CID 15013820
1-(2,3-dihydro-1H-inden-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,3-dihydro-1H-inden-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
CID 144689291
17-(4-benzoylphenyl)-1-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 163360764
9-(1,2-Dibenzoylethylidene)-4-azafluorene
CID 3869812
N-phenacyl-3-methyl-9-benzoylindeno-[2,3-c]pyridinium hydroxide
CID 129782383
N-benzyl-9-benzoylindeno[1,2-b]pyridinium hydroxide
CID 129782436
2,3-Diphenyl-1-acetyl-6-oxo-6h-indeno[2,1-f]indolizine
CID 129792856
(3-Benzoyl-2-phenylpyrrolo[2,1-a]isoquinolin-1-yl)(o-tolyl)methanone
CID 129858025
8-Phenylindeno[1,2-b]pyridin-5-one
CID 139191772
7-Phenylindeno[1,2-b]pyridin-5-one
CID 139191774

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[[4-(N-[4-[4-(N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]methylidene]cyclopenta[b]pyridine-5,7-dione?
The IUPAC name of (6Z)-6-[[4-(N-[4-[4-(N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]methylidene]cyclopenta[b]pyridine-5,7-dione (CID 20617925) is (6Z)-6-[[4-(N-[4-[4-(N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]methylidene]cyclopenta[b]pyridine-5,7-dione.
What is the SMILES notation for (6Z)-6-[[4-(N-[4-[4-(N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]methylidene]cyclopenta[b]pyridine-5,7-dione?
The canonical SMILES for (6Z)-6-[[4-(N-[4-[4-(N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]methylidene]cyclopenta[b]pyridine-5,7-dione is O=C1C(=Cc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(/C=C6/C(=O)c7cccnc7C6=O)cc5)cc4)cc3)cc2)C(=O)c2ccccc21.
What is the InChIKey of (6Z)-6-[[4-(N-[4-[4-(N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]methylidene]cyclopenta[b]pyridine-5,7-dione?
The InChIKey is LMUXPRNGBLSXJC-PCIFVOTLSA-N. The full InChI is InChI=1S/C55H35N3O4/c59-52-46-14-7-8-15-47(46)53(60)49(52)34-36-17-25-42(26-18-36)57(40-10-3-1-4-11-40)44-29-21-38(22-30-44)39-23-31-45(32-24-39)58(41-12-5-2-6-13-41)43-27-19-37(20-28-43)35-50-54(61)48-16-9-33-56-51(48)55(50)62/h1-35H/b50-35-.
What are the key properties of (6Z)-6-[[4-(N-[4-[4-(N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]methylidene]cyclopenta[b]pyridine-5,7-dione?
(6Z)-6-[[4-(N-[4-[4-(N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]methylidene]cyclopenta[b]pyridine-5,7-dione has a molecular weight of 801.90 g/mol, XLogP of 12.61, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[[4-(N-[4-[4-(N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]methylidene]cyclopenta[b]pyridine-5,7-dione is sourced from PubChem (CID 20617925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).