N-[2-(1H-inden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine;methanol;2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-one;(NZ)-N-[2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine

C57H56N2O6 — CID 172944985

IUPACN-[2-(1H-inden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine;methanol;2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-one;(NZ)-N-[2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCO.COC1(C2Cc3ccccc3/C2=N\O)Cc2ccccc2C1.COC1(C2Cc3ccccc3C2=O)Cc2ccccc2C1.ON=C1c2ccccc2CC1C1=Cc2ccccc2C1
InChIInChI=1S/C19H19NO2.C19H18O2.C18H15NO.CH4O/c1-22-19(11-14-7-2-3-8-15(14)12-19)17-10-13-6-4-5-9-16(13)18(17)20-21;1-21-19(11-14-7-2-3-8-15(14)12-19)17-10-13-6-4-5-9-16(13)18(17)20;20-19-18-16-8-4-3-7-14(16)11-17(18)15-9-12-5-1-2-6-13(12)10-15;1-2/h2-9,17,21H,10-12H2,1H3;2-9,17H,10-12H2,1H3;1-9,17,20H,10-11H2;2H,1H3/b20-18+;;;
InChIKeyGUXHEKDROMCOBY-ZRUSLABSSA-N
MW865.08 g/mol
LogP9.73
Rot. Bonds5

About N-[2-(1H-inden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine;methanol;2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-one;(NZ)-N-[2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine

N-[2-(1H-inden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine;methanol;2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-one;(NZ)-N-[2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 172944985) has the molecular formula C57H56N2O6 and a molecular weight of 865.08 g/mol. Its IUPAC name is N-[2-(1H-inden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine;methanol;2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-one;(NZ)-N-[2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(1H-inden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine;methanol;2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-one;(NZ)-N-[2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID172944985
Molecular FormulaC57H56N2O6
Molecular Weight865.08 g/mol
Exact Mass864.41
IUPAC NameN-[2-(1H-inden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine;methanol;2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-one;(NZ)-N-[2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCO.COC1(C2Cc3ccccc3/C2=N\O)Cc2ccccc2C1.COC1(C2Cc3ccccc3C2=O)Cc2ccccc2C1.ON=C1c2ccccc2CC1C1=Cc2ccccc2C1
InChIInChI=1S/C19H19NO2.C19H18O2.C18H15NO.CH4O/c1-22-19(11-14-7-2-3-8-15(14)12-19)17-10-13-6-4-5-9-16(13)18(17)20-21;1-21-19(11-14-7-2-3-8-15(14)12-19)17-10-13-6-4-5-9-16(13)18(17)20;20-19-18-16-8-4-3-7-14(16)11-17(18)15-9-12-5-1-2-6-13(12)10-15;1-2/h2-9,17,21H,10-12H2,1H3;2-9,17H,10-12H2,1H3;1-9,17,20H,10-11H2;2H,1H3/b20-18+;;;
InChIKeyGUXHEKDROMCOBY-ZRUSLABSSA-N
XLogP9.73
TPSA120.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.08
LogP ≤ 59.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(1H-inden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine;methanol;2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-one;(NZ)-N-[2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine with MolForge

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Related Compounds

(2S,3S,4'S)-3-methyl-3',4'-diphenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one
CID 139053965
9-benzyl-9H-fluorene;9-benzylidenefluorene;9H-fluorene;9H-fluorene-9-carboxylic acid;9H-fluoren-9-ol;fluoren-9-one;N-fluoren-9-ylidenehydroxylamine;9-hexyl-9H-fluorene;9-hexylidenefluorene;9-methoxy-9H-fluorene
CID 161464445

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-inden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine;methanol;2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-one;(NZ)-N-[2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of N-[2-(1H-inden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine;methanol;2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-one;(NZ)-N-[2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 172944985) is N-[2-(1H-inden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine;methanol;2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-one;(NZ)-N-[2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[2-(1H-inden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine;methanol;2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-one;(NZ)-N-[2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for N-[2-(1H-inden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine;methanol;2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-one;(NZ)-N-[2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine is CO.COC1(C2Cc3ccccc3/C2=N\O)Cc2ccccc2C1.COC1(C2Cc3ccccc3C2=O)Cc2ccccc2C1.ON=C1c2ccccc2CC1C1=Cc2ccccc2C1.
What is the InChIKey of N-[2-(1H-inden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine;methanol;2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-one;(NZ)-N-[2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is GUXHEKDROMCOBY-ZRUSLABSSA-N. The full InChI is InChI=1S/C19H19NO2.C19H18O2.C18H15NO.CH4O/c1-22-19(11-14-7-2-3-8-15(14)12-19)17-10-13-6-4-5-9-16(13)18(17)20-21;1-21-19(11-14-7-2-3-8-15(14)12-19)17-10-13-6-4-5-9-16(13)18(17)20;20-19-18-16-8-4-3-7-14(16)11-17(18)15-9-12-5-1-2-6-13(12)10-15;1-2/h2-9,17,21H,10-12H2,1H3;2-9,17H,10-12H2,1H3;1-9,17,20H,10-11H2;2H,1H3/b20-18+;;;.
What are the key properties of N-[2-(1H-inden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine;methanol;2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-one;(NZ)-N-[2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine?
N-[2-(1H-inden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine;methanol;2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-one;(NZ)-N-[2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 865.08 g/mol, XLogP of 9.73, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-inden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine;methanol;2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-one;(NZ)-N-[2-(2-methoxy-1,3-dihydroinden-2-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 172944985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).