[(E)-1-(9H-fluoren-2-yl)ethylideneamino] naphthalene-2-carboximidate

C26H20N2O — CID 172922973

IUPAC[(E)-1-(9H-fluoren-2-yl)ethylideneamino] naphthalene-2-carboximidate
SMILES[H]/N=C(/O/N=C(\C)c1ccc2c(c1)Cc1ccccc1-2)c1ccc2ccccc2c1
InChIInChI=1S/C26H20N2O/c1-17(19-12-13-25-23(14-19)16-21-8-4-5-9-24(21)25)28-29-26(27)22-11-10-18-6-2-3-7-20(18)15-22/h2-15,27H,16H2,1H3/b27-26+,28-17+
InChIKeyGGGLRJKKRJCHGP-APQHPVSRSA-N
MW376.46 g/mol
LogP6.18
Rot. Bonds3

About [(E)-1-(9H-fluoren-2-yl)ethylideneamino] naphthalene-2-carboximidate

[(E)-1-(9H-fluoren-2-yl)ethylideneamino] naphthalene-2-carboximidate (PubChem CID 172922973) has the molecular formula C26H20N2O and a molecular weight of 376.46 g/mol. Its IUPAC name is [(E)-1-(9H-fluoren-2-yl)ethylideneamino] naphthalene-2-carboximidate.

Molecular Properties

Compound Name[(E)-1-(9H-fluoren-2-yl)ethylideneamino] naphthalene-2-carboximidate
PubChem CID172922973
Molecular FormulaC26H20N2O
Molecular Weight376.46 g/mol
Exact Mass376.16
IUPAC Name[(E)-1-(9H-fluoren-2-yl)ethylideneamino] naphthalene-2-carboximidate
SMILES[H]/N=C(/O/N=C(\C)c1ccc2c(c1)Cc1ccccc1-2)c1ccc2ccccc2c1
InChIInChI=1S/C26H20N2O/c1-17(19-12-13-25-23(14-19)16-21-8-4-5-9-24(21)25)28-29-26(27)22-11-10-18-6-2-3-7-20(18)15-22/h2-15,27H,16H2,1H3/b27-26+,28-17+
InChIKeyGGGLRJKKRJCHGP-APQHPVSRSA-N
XLogP6.18
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(9H-fluoren-2-yl)ethylideneamino] 2-phenylacetate
CID 76708620
[(E)-1-(9H-fluoren-2-yl)ethylideneamino] adamantane-2-carboxylate
CID 58226160
(1-naphthalen-2-ylethylideneamino) acetate
CID 54130886
[(E)-1-naphthalen-2-ylethylideneamino] benzoate
CID 18602824
9H-fluorene-3-carboximidamide
CID 142615389
(Z)-1-(9H-fluoren-2-yl)-N-morpholin-4-ylethanimine
CID 167952207
(3E)-4-(9H-fluoren-2-yl)hepta-3,5-dien-2-imine
CID 123980064
2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;hydrochloride
CID 54598572
(1-phenylethylideneamino) naphthalene-2-carboxylate
CID 76708666
[(E)-1-naphthalen-2-ylethylideneamino] 2-phenylacetate
CID 88860851
9H-fluorene-2-carboxamide;hydrochloride
CID 21224790
1-(9H-fluoren-2-yl)prop-1-en-1-ol
CID 141066359

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(9H-fluoren-2-yl)ethylideneamino] naphthalene-2-carboximidate?
The IUPAC name of [(E)-1-(9H-fluoren-2-yl)ethylideneamino] naphthalene-2-carboximidate (CID 172922973) is [(E)-1-(9H-fluoren-2-yl)ethylideneamino] naphthalene-2-carboximidate.
What is the SMILES notation for [(E)-1-(9H-fluoren-2-yl)ethylideneamino] naphthalene-2-carboximidate?
The canonical SMILES for [(E)-1-(9H-fluoren-2-yl)ethylideneamino] naphthalene-2-carboximidate is [H]/N=C(/O/N=C(\C)c1ccc2c(c1)Cc1ccccc1-2)c1ccc2ccccc2c1.
What is the InChIKey of [(E)-1-(9H-fluoren-2-yl)ethylideneamino] naphthalene-2-carboximidate?
The InChIKey is GGGLRJKKRJCHGP-APQHPVSRSA-N. The full InChI is InChI=1S/C26H20N2O/c1-17(19-12-13-25-23(14-19)16-21-8-4-5-9-24(21)25)28-29-26(27)22-11-10-18-6-2-3-7-20(18)15-22/h2-15,27H,16H2,1H3/b27-26+,28-17+.
What are the key properties of [(E)-1-(9H-fluoren-2-yl)ethylideneamino] naphthalene-2-carboximidate?
[(E)-1-(9H-fluoren-2-yl)ethylideneamino] naphthalene-2-carboximidate has a molecular weight of 376.46 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(9H-fluoren-2-yl)ethylideneamino] naphthalene-2-carboximidate is sourced from PubChem (CID 172922973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).