1-(9H-fluoren-9-ylmethoxy)-N-[5-[[9H-fluoren-9-ylmethoxy(oxido)methylidene]amino]-6-oxoheptyl]methanimidate

C37H34N2O5-2 — CID 59467860

IUPAC1-(9H-fluoren-9-ylmethoxy)-N-[5-[[9H-fluoren-9-ylmethoxy(oxido)methylidene]amino]-6-oxoheptyl]methanimidate
SMILESCC(=O)C(CCCC/N=C(\[O-])OCC1c2ccccc2-c2ccccc21)/N=C(\[O-])OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C37H36N2O5/c1-24(40)35(39-37(42)44-23-34-31-18-8-4-14-27(31)28-15-5-9-19-32(28)34)20-10-11-21-38-36(41)43-22-33-29-16-6-2-12-25(29)26-13-3-7-17-30(26)33/h2-9,12-19,33-35H,10-11,20-23H2,1H3,(H,38,41)(H,39,42)/p-2
InChIKeyOVDRLOUYOHUQSW-UHFFFAOYSA-L
MW586.69 g/mol
LogP5.21
Rot. Bonds11

About 1-(9H-fluoren-9-ylmethoxy)-N-[5-[[9H-fluoren-9-ylmethoxy(oxido)methylidene]amino]-6-oxoheptyl]methanimidate

1-(9H-fluoren-9-ylmethoxy)-N-[5-[[9H-fluoren-9-ylmethoxy(oxido)methylidene]amino]-6-oxoheptyl]methanimidate (PubChem CID 59467860) has the molecular formula C37H34N2O5-2 and a molecular weight of 586.69 g/mol. Its IUPAC name is 1-(9H-fluoren-9-ylmethoxy)-N-[5-[[9H-fluoren-9-ylmethoxy(oxido)methylidene]amino]-6-oxoheptyl]methanimidate.

Molecular Properties

Compound Name1-(9H-fluoren-9-ylmethoxy)-N-[5-[[9H-fluoren-9-ylmethoxy(oxido)methylidene]amino]-6-oxoheptyl]methanimidate
PubChem CID59467860
Molecular FormulaC37H34N2O5-2
Molecular Weight586.69 g/mol
Exact Mass586.25
IUPAC Name1-(9H-fluoren-9-ylmethoxy)-N-[5-[[9H-fluoren-9-ylmethoxy(oxido)methylidene]amino]-6-oxoheptyl]methanimidate
SMILESCC(=O)C(CCCC/N=C(\[O-])OCC1c2ccccc2-c2ccccc21)/N=C(\[O-])OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C37H36N2O5/c1-24(40)35(39-37(42)44-23-34-31-18-8-4-14-27(31)28-15-5-9-19-32(28)34)20-10-11-21-38-36(41)43-22-33-29-16-6-2-12-25(29)26-13-3-7-17-30(26)33/h2-9,12-19,33-35H,10-11,20-23H2,1H3,(H,38,41)(H,39,42)/p-2
InChIKeyOVDRLOUYOHUQSW-UHFFFAOYSA-L
XLogP5.21
TPSA106.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.69
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(9H-fluoren-9-ylmethoxy)-N-(1-methoxy-1-oxopentan-2-yl)methanimidate
CID 58785977
CID 119079653
CID 119079653
(2R)-6-(diaminomethylideneamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;hydrochloride
CID 122173526
(2S)-2-amino-5-[[amino-(9H-fluoren-9-ylmethoxycarbonylamino)methylidene]amino]pentanoic acid
CID 40555331
9H-fluoren-9-ylmethyl 7-methyloctanoate
CID 167509149
2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid
CID 163288654
N-[(2S)-1-(4-carboxy-2,2-dimethyl-1,3-oxazolidin-3-yl)-4-methoxy-1,4-dioxobutan-2-yl]-1-(9H-fluoren-9-ylmethoxy)methanimidate
CID 91057880
2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 74001834
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpent-4-enoate
CID 7019924
9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
CID 118461270
(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-6-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]hexanoic acid
CID 163162428
disodium;(2S)-2-[[9H-fluoren-9-ylmethoxy(oxido)methylidene]amino]-3-[4-[hydroxy(phenylmethoxy)phosphoryl]carbonylphenyl]propanoate
CID 102591455

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-ylmethoxy)-N-[5-[[9H-fluoren-9-ylmethoxy(oxido)methylidene]amino]-6-oxoheptyl]methanimidate?
The IUPAC name of 1-(9H-fluoren-9-ylmethoxy)-N-[5-[[9H-fluoren-9-ylmethoxy(oxido)methylidene]amino]-6-oxoheptyl]methanimidate (CID 59467860) is 1-(9H-fluoren-9-ylmethoxy)-N-[5-[[9H-fluoren-9-ylmethoxy(oxido)methylidene]amino]-6-oxoheptyl]methanimidate.
What is the SMILES notation for 1-(9H-fluoren-9-ylmethoxy)-N-[5-[[9H-fluoren-9-ylmethoxy(oxido)methylidene]amino]-6-oxoheptyl]methanimidate?
The canonical SMILES for 1-(9H-fluoren-9-ylmethoxy)-N-[5-[[9H-fluoren-9-ylmethoxy(oxido)methylidene]amino]-6-oxoheptyl]methanimidate is CC(=O)C(CCCC/N=C(\[O-])OCC1c2ccccc2-c2ccccc21)/N=C(\[O-])OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 1-(9H-fluoren-9-ylmethoxy)-N-[5-[[9H-fluoren-9-ylmethoxy(oxido)methylidene]amino]-6-oxoheptyl]methanimidate?
The InChIKey is OVDRLOUYOHUQSW-UHFFFAOYSA-L. The full InChI is InChI=1S/C37H36N2O5/c1-24(40)35(39-37(42)44-23-34-31-18-8-4-14-27(31)28-15-5-9-19-32(28)34)20-10-11-21-38-36(41)43-22-33-29-16-6-2-12-25(29)26-13-3-7-17-30(26)33/h2-9,12-19,33-35H,10-11,20-23H2,1H3,(H,38,41)(H,39,42)/p-2.
What are the key properties of 1-(9H-fluoren-9-ylmethoxy)-N-[5-[[9H-fluoren-9-ylmethoxy(oxido)methylidene]amino]-6-oxoheptyl]methanimidate?
1-(9H-fluoren-9-ylmethoxy)-N-[5-[[9H-fluoren-9-ylmethoxy(oxido)methylidene]amino]-6-oxoheptyl]methanimidate has a molecular weight of 586.69 g/mol, XLogP of 5.21, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-ylmethoxy)-N-[5-[[9H-fluoren-9-ylmethoxy(oxido)methylidene]amino]-6-oxoheptyl]methanimidate is sourced from PubChem (CID 59467860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).