[4-[[3-[(1,3-dioxoinden-2-ylidene)methyl]-1H-inden-1-yl]methyl]phenyl]azanide

C26H18NO2- — CID 143976208

IUPAC[4-[[3-[(1,3-dioxoinden-2-ylidene)methyl]-1H-inden-1-yl]methyl]phenyl]azanide
SMILES[NH-]c1ccc(CC2C=C(C=C3C(=O)c4ccccc4C3=O)c3ccccc32)cc1
InChIInChI=1S/C26H18NO2/c27-19-11-9-16(10-12-19)13-17-14-18(21-6-2-1-5-20(17)21)15-24-25(28)22-7-3-4-8-23(22)26(24)29/h1-12,14-15,17,27H,13H2/q-1
InChIKeyXGBPYOHTMNXDBS-UHFFFAOYSA-N
MW376.44 g/mol
LogP6.10
Rot. Bonds3

About [4-[[3-[(1,3-dioxoinden-2-ylidene)methyl]-1H-inden-1-yl]methyl]phenyl]azanide

[4-[[3-[(1,3-dioxoinden-2-ylidene)methyl]-1H-inden-1-yl]methyl]phenyl]azanide (PubChem CID 143976208) has the molecular formula C26H18NO2- and a molecular weight of 376.44 g/mol. Its IUPAC name is [4-[[3-[(1,3-dioxoinden-2-ylidene)methyl]-1H-inden-1-yl]methyl]phenyl]azanide.

Molecular Properties

Compound Name[4-[[3-[(1,3-dioxoinden-2-ylidene)methyl]-1H-inden-1-yl]methyl]phenyl]azanide
PubChem CID143976208
Molecular FormulaC26H18NO2-
Molecular Weight376.44 g/mol
Exact Mass376.13
IUPAC Name[4-[[3-[(1,3-dioxoinden-2-ylidene)methyl]-1H-inden-1-yl]methyl]phenyl]azanide
SMILES[NH-]c1ccc(CC2C=C(C=C3C(=O)c4ccccc4C3=O)c3ccccc32)cc1
InChIInChI=1S/C26H18NO2/c27-19-11-9-16(10-12-19)13-17-14-18(21-6-2-1-5-20(17)21)15-24-25(28)22-7-3-4-8-23(22)26(24)29/h1-12,14-15,17,27H,13H2/q-1
InChIKeyXGBPYOHTMNXDBS-UHFFFAOYSA-N
XLogP6.10
TPSA57.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.44
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [4-[[3-[(1,3-dioxoinden-2-ylidene)methyl]-1H-inden-1-yl]methyl]phenyl]azanide with MolForge

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Related Compounds

2-[[3-[(4-aminophenyl)methyl]-3H-inden-1-yl]methylidene]indene-1,3-dione
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2-[[4-[N-benzyl-4-[N-benzyl-4-[(1,3-dioxoinden-2-ylidene)methyl]anilino]anilino]phenyl]methylidene]indene-1,3-dione
CID 59994776
2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylidene]indene-1,3-dione
CID 8855141
2-[(2-phenylpyrimidin-5-yl)methylidene]indene-1,3-dione
CID 47056693
3-benzyl-3H-2-benzothiophen-1-one
CID 56970906
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 67824005
CID 67824005
CID 66807709
CID 66807709
lithium;anthracene-9,10-dione;hydride
CID 174683199
phenanthrene-9,10-dione
CID 6763

Frequently Asked Questions

What is the IUPAC name of [4-[[3-[(1,3-dioxoinden-2-ylidene)methyl]-1H-inden-1-yl]methyl]phenyl]azanide?
The IUPAC name of [4-[[3-[(1,3-dioxoinden-2-ylidene)methyl]-1H-inden-1-yl]methyl]phenyl]azanide (CID 143976208) is [4-[[3-[(1,3-dioxoinden-2-ylidene)methyl]-1H-inden-1-yl]methyl]phenyl]azanide.
What is the SMILES notation for [4-[[3-[(1,3-dioxoinden-2-ylidene)methyl]-1H-inden-1-yl]methyl]phenyl]azanide?
The canonical SMILES for [4-[[3-[(1,3-dioxoinden-2-ylidene)methyl]-1H-inden-1-yl]methyl]phenyl]azanide is [NH-]c1ccc(CC2C=C(C=C3C(=O)c4ccccc4C3=O)c3ccccc32)cc1.
What is the InChIKey of [4-[[3-[(1,3-dioxoinden-2-ylidene)methyl]-1H-inden-1-yl]methyl]phenyl]azanide?
The InChIKey is XGBPYOHTMNXDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18NO2/c27-19-11-9-16(10-12-19)13-17-14-18(21-6-2-1-5-20(17)21)15-24-25(28)22-7-3-4-8-23(22)26(24)29/h1-12,14-15,17,27H,13H2/q-1.
What are the key properties of [4-[[3-[(1,3-dioxoinden-2-ylidene)methyl]-1H-inden-1-yl]methyl]phenyl]azanide?
[4-[[3-[(1,3-dioxoinden-2-ylidene)methyl]-1H-inden-1-yl]methyl]phenyl]azanide has a molecular weight of 376.44 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-[(1,3-dioxoinden-2-ylidene)methyl]-1H-inden-1-yl]methyl]phenyl]azanide is sourced from PubChem (CID 143976208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).