2-[(1-benzylindol-3-yl)methylideneamino]anthracene-9,10-dione

C30H20N2O2 — CID 23476963

IUPAC2-[(1-benzylindol-3-yl)methylideneamino]anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2cc(/N=C/c3cn(Cc4ccccc4)c4ccccc34)ccc21
InChIInChI=1S/C30H20N2O2/c33-29-24-11-4-5-12-25(24)30(34)27-16-22(14-15-26(27)29)31-17-21-19-32(18-20-8-2-1-3-9-20)28-13-7-6-10-23(21)28/h1-17,19H,18H2/b31-17+
InChIKeySUIZDOHNTPGGMT-KBVAKVRCSA-N
MW440.50 g/mol
LogP6.22
Rot. Bonds4

About 2-[(1-benzylindol-3-yl)methylideneamino]anthracene-9,10-dione

2-[(1-benzylindol-3-yl)methylideneamino]anthracene-9,10-dione (PubChem CID 23476963) has the molecular formula C30H20N2O2 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-[(1-benzylindol-3-yl)methylideneamino]anthracene-9,10-dione.

Molecular Properties

Compound Name2-[(1-benzylindol-3-yl)methylideneamino]anthracene-9,10-dione
PubChem CID23476963
Molecular FormulaC30H20N2O2
Molecular Weight440.50 g/mol
Exact Mass440.15
IUPAC Name2-[(1-benzylindol-3-yl)methylideneamino]anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2cc(/N=C/c3cn(Cc4ccccc4)c4ccccc34)ccc21
InChIInChI=1S/C30H20N2O2/c33-29-24-11-4-5-12-25(24)30(34)27-16-22(14-15-26(27)29)31-17-21-19-32(18-20-8-2-1-3-9-20)28-13-7-6-10-23(21)28/h1-17,19H,18H2/b31-17+
InChIKeySUIZDOHNTPGGMT-KBVAKVRCSA-N
XLogP6.22
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1-benzylindol-3-yl)-deuteriomethanone
CID 176774794
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2,2-diphenylacetamide
CID 23476926
5-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-chlorobenzoic acid
CID 126391337
2-(1-benzylindol-3-yl)-2-chloroacetaldehyde
CID 19860541
2-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]isoindole-1,3-dione
CID 126004324
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide
CID 5414915
3-[(1-benzylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione
CID 4023231
1-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine
CID 1276386
N-[(1-benzylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 3641081
4-[(1-ethylindol-3-yl)methylideneamino]benzoic acid
CID 23476815
(3Z)-3-[(1-benzylindol-3-yl)methylidene]-1-methylindol-2-one
CID 5293756
N-[(1-benzylindol-3-yl)methylideneamino]-4-(2-methylpropyl)benzenesulfonamide
CID 4508949

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylindol-3-yl)methylideneamino]anthracene-9,10-dione?
The IUPAC name of 2-[(1-benzylindol-3-yl)methylideneamino]anthracene-9,10-dione (CID 23476963) is 2-[(1-benzylindol-3-yl)methylideneamino]anthracene-9,10-dione.
What is the SMILES notation for 2-[(1-benzylindol-3-yl)methylideneamino]anthracene-9,10-dione?
The canonical SMILES for 2-[(1-benzylindol-3-yl)methylideneamino]anthracene-9,10-dione is O=C1c2ccccc2C(=O)c2cc(/N=C/c3cn(Cc4ccccc4)c4ccccc34)ccc21.
What is the InChIKey of 2-[(1-benzylindol-3-yl)methylideneamino]anthracene-9,10-dione?
The InChIKey is SUIZDOHNTPGGMT-KBVAKVRCSA-N. The full InChI is InChI=1S/C30H20N2O2/c33-29-24-11-4-5-12-25(24)30(34)27-16-22(14-15-26(27)29)31-17-21-19-32(18-20-8-2-1-3-9-20)28-13-7-6-10-23(21)28/h1-17,19H,18H2/b31-17+.
What are the key properties of 2-[(1-benzylindol-3-yl)methylideneamino]anthracene-9,10-dione?
2-[(1-benzylindol-3-yl)methylideneamino]anthracene-9,10-dione has a molecular weight of 440.50 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylindol-3-yl)methylideneamino]anthracene-9,10-dione is sourced from PubChem (CID 23476963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).