N'-[7-[[amino(phenyl)methylidene]amino]-9H-fluoren-2-yl]benzenecarboximidamide;dihydrochloride

C27H24Cl2N4 — CID 11784798

IUPACN'-[7-[[amino(phenyl)methylidene]amino]-9H-fluoren-2-yl]benzenecarboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N\c1ccc2c(c1)Cc1cc(/N=C(\N)c3ccccc3)ccc1-2)c1ccccc1
InChIInChI=1S/C27H22N4.2ClH/c28-26(18-7-3-1-4-8-18)30-22-11-13-24-20(16-22)15-21-17-23(12-14-25(21)24)31-27(29)19-9-5-2-6-10-19;;/h1-14,16-17H,15H2,(H2,28,30)(H2,29,31);2*1H
InChIKeyKCNDFUHXFYMTPD-UHFFFAOYSA-N
MW475.42 g/mol
LogP6.18
Rot. Bonds4

About N'-[7-[[amino(phenyl)methylidene]amino]-9H-fluoren-2-yl]benzenecarboximidamide;dihydrochloride

N'-[7-[[amino(phenyl)methylidene]amino]-9H-fluoren-2-yl]benzenecarboximidamide;dihydrochloride (PubChem CID 11784798) has the molecular formula C27H24Cl2N4 and a molecular weight of 475.42 g/mol. Its IUPAC name is N'-[7-[[amino(phenyl)methylidene]amino]-9H-fluoren-2-yl]benzenecarboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-[7-[[amino(phenyl)methylidene]amino]-9H-fluoren-2-yl]benzenecarboximidamide;dihydrochloride
PubChem CID11784798
Molecular FormulaC27H24Cl2N4
Molecular Weight475.42 g/mol
Exact Mass474.14
IUPAC NameN'-[7-[[amino(phenyl)methylidene]amino]-9H-fluoren-2-yl]benzenecarboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N\c1ccc2c(c1)Cc1cc(/N=C(\N)c3ccccc3)ccc1-2)c1ccccc1
InChIInChI=1S/C27H22N4.2ClH/c28-26(18-7-3-1-4-8-18)30-22-11-13-24-20(16-22)15-21-17-23(12-14-25(21)24)31-27(29)19-9-5-2-6-10-19;;/h1-14,16-17H,15H2,(H2,28,30)(H2,29,31);2*1H
InChIKeyKCNDFUHXFYMTPD-UHFFFAOYSA-N
XLogP6.18
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.42
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[7-[[amino(phenyl)methylidene]amino]-9H-fluoren-2-yl]benzenecarboximidamide;dihydrochloride?
The IUPAC name of N'-[7-[[amino(phenyl)methylidene]amino]-9H-fluoren-2-yl]benzenecarboximidamide;dihydrochloride (CID 11784798) is N'-[7-[[amino(phenyl)methylidene]amino]-9H-fluoren-2-yl]benzenecarboximidamide;dihydrochloride.
What is the SMILES notation for N'-[7-[[amino(phenyl)methylidene]amino]-9H-fluoren-2-yl]benzenecarboximidamide;dihydrochloride?
The canonical SMILES for N'-[7-[[amino(phenyl)methylidene]amino]-9H-fluoren-2-yl]benzenecarboximidamide;dihydrochloride is Cl.Cl.N/C(=N\c1ccc2c(c1)Cc1cc(/N=C(\N)c3ccccc3)ccc1-2)c1ccccc1.
What is the InChIKey of N'-[7-[[amino(phenyl)methylidene]amino]-9H-fluoren-2-yl]benzenecarboximidamide;dihydrochloride?
The InChIKey is KCNDFUHXFYMTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4.2ClH/c28-26(18-7-3-1-4-8-18)30-22-11-13-24-20(16-22)15-21-17-23(12-14-25(21)24)31-27(29)19-9-5-2-6-10-19;;/h1-14,16-17H,15H2,(H2,28,30)(H2,29,31);2*1H.
What are the key properties of N'-[7-[[amino(phenyl)methylidene]amino]-9H-fluoren-2-yl]benzenecarboximidamide;dihydrochloride?
N'-[7-[[amino(phenyl)methylidene]amino]-9H-fluoren-2-yl]benzenecarboximidamide;dihydrochloride has a molecular weight of 475.42 g/mol, XLogP of 6.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-[[amino(phenyl)methylidene]amino]-9H-fluoren-2-yl]benzenecarboximidamide;dihydrochloride is sourced from PubChem (CID 11784798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).