dichloroiron;N-(9H-fluoren-2-yl)-1-[5-[N-(9H-fluoren-2-yl)-C-methylcarbonimidoyl]thiophen-2-yl]ethanimine

C34H26Cl2FeN2S — CID 20701979

IUPACdichloroiron;N-(9H-fluoren-2-yl)-1-[5-[N-(9H-fluoren-2-yl)-C-methylcarbonimidoyl]thiophen-2-yl]ethanimine
SMILESC/C(=N\c1ccc2c(c1)Cc1ccccc1-2)c1ccc(/C(C)=N/c2ccc3c(c2)Cc2ccccc2-3)s1.Cl[Fe]Cl
InChIInChI=1S/C34H26N2S.2ClH.Fe/c1-21(35-27-11-13-31-25(19-27)17-23-7-3-5-9-29(23)31)33-15-16-34(37-33)22(2)36-28-12-14-32-26(20-28)18-24-8-4-6-10-30(24)32;;;/h3-16,19-20H,17-18H2,1-2H3;2*1H;/q;;;+2/p-2/b35-21+,36-22+;;;
InChIKeyHHTULKKXNYCTTL-VTBWVDLMSA-L
MW621.41 g/mol
LogP10.55
Rot. Bonds4

About dichloroiron;N-(9H-fluoren-2-yl)-1-[5-[N-(9H-fluoren-2-yl)-C-methylcarbonimidoyl]thiophen-2-yl]ethanimine

dichloroiron;N-(9H-fluoren-2-yl)-1-[5-[N-(9H-fluoren-2-yl)-C-methylcarbonimidoyl]thiophen-2-yl]ethanimine (PubChem CID 20701979) has the molecular formula C34H26Cl2FeN2S and a molecular weight of 621.41 g/mol. Its IUPAC name is dichloroiron;N-(9H-fluoren-2-yl)-1-[5-[N-(9H-fluoren-2-yl)-C-methylcarbonimidoyl]thiophen-2-yl]ethanimine.

Molecular Properties

Compound Namedichloroiron;N-(9H-fluoren-2-yl)-1-[5-[N-(9H-fluoren-2-yl)-C-methylcarbonimidoyl]thiophen-2-yl]ethanimine
PubChem CID20701979
Molecular FormulaC34H26Cl2FeN2S
Molecular Weight621.41 g/mol
Exact Mass620.05
IUPAC Namedichloroiron;N-(9H-fluoren-2-yl)-1-[5-[N-(9H-fluoren-2-yl)-C-methylcarbonimidoyl]thiophen-2-yl]ethanimine
SMILESC/C(=N\c1ccc2c(c1)Cc1ccccc1-2)c1ccc(/C(C)=N/c2ccc3c(c2)Cc2ccccc2-3)s1.Cl[Fe]Cl
InChIInChI=1S/C34H26N2S.2ClH.Fe/c1-21(35-27-11-13-31-25(19-27)17-23-7-3-5-9-29(23)31)33-15-16-34(37-33)22(2)36-28-12-14-32-26(20-28)18-24-8-4-6-10-30(24)32;;;/h3-16,19-20H,17-18H2,1-2H3;2*1H;/q;;;+2/p-2/b35-21+,36-22+;;;
InChIKeyHHTULKKXNYCTTL-VTBWVDLMSA-L
XLogP10.55
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.41
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-acetyl-N-(9H-fluoren-2-yl)thiophene-2-carboxamide
CID 39996046
ethane;9H-fluoren-2-amine
CID 142950354
ethane;9H-fluoren-2-ol
CID 91146688
(Z)-1-(9H-fluoren-2-yl)-N-morpholin-4-ylethanimine
CID 167952207
2-isocyanato-9H-fluorene
CID 4118622
N'-[7-[[amino(phenyl)methylidene]amino]-9H-fluoren-2-yl]benzenecarboximidamide;dihydrochloride
CID 11784798
2-[7-[[amino-(methoxyamino)methylidene]amino]-9H-fluoren-2-yl]-1-methoxyguanidine
CID 11244715
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
1-(9H-fluoren-2-yl)prop-1-en-1-ol
CID 141066359
9H-fluoren-2-amine;hydrobromide
CID 141482724
2-[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,2-bis(9H-fluoren-2-yl)ethylidene]-4,5-dimethyl-1,3-dithiole
CID 101055689
9H-fluorene;oxophosphane
CID 174601741

Frequently Asked Questions

What is the IUPAC name of dichloroiron;N-(9H-fluoren-2-yl)-1-[5-[N-(9H-fluoren-2-yl)-C-methylcarbonimidoyl]thiophen-2-yl]ethanimine?
The IUPAC name of dichloroiron;N-(9H-fluoren-2-yl)-1-[5-[N-(9H-fluoren-2-yl)-C-methylcarbonimidoyl]thiophen-2-yl]ethanimine (CID 20701979) is dichloroiron;N-(9H-fluoren-2-yl)-1-[5-[N-(9H-fluoren-2-yl)-C-methylcarbonimidoyl]thiophen-2-yl]ethanimine.
What is the SMILES notation for dichloroiron;N-(9H-fluoren-2-yl)-1-[5-[N-(9H-fluoren-2-yl)-C-methylcarbonimidoyl]thiophen-2-yl]ethanimine?
The canonical SMILES for dichloroiron;N-(9H-fluoren-2-yl)-1-[5-[N-(9H-fluoren-2-yl)-C-methylcarbonimidoyl]thiophen-2-yl]ethanimine is C/C(=N\c1ccc2c(c1)Cc1ccccc1-2)c1ccc(/C(C)=N/c2ccc3c(c2)Cc2ccccc2-3)s1.Cl[Fe]Cl.
What is the InChIKey of dichloroiron;N-(9H-fluoren-2-yl)-1-[5-[N-(9H-fluoren-2-yl)-C-methylcarbonimidoyl]thiophen-2-yl]ethanimine?
The InChIKey is HHTULKKXNYCTTL-VTBWVDLMSA-L. The full InChI is InChI=1S/C34H26N2S.2ClH.Fe/c1-21(35-27-11-13-31-25(19-27)17-23-7-3-5-9-29(23)31)33-15-16-34(37-33)22(2)36-28-12-14-32-26(20-28)18-24-8-4-6-10-30(24)32;;;/h3-16,19-20H,17-18H2,1-2H3;2*1H;/q;;;+2/p-2/b35-21+,36-22+;;;.
What are the key properties of dichloroiron;N-(9H-fluoren-2-yl)-1-[5-[N-(9H-fluoren-2-yl)-C-methylcarbonimidoyl]thiophen-2-yl]ethanimine?
dichloroiron;N-(9H-fluoren-2-yl)-1-[5-[N-(9H-fluoren-2-yl)-C-methylcarbonimidoyl]thiophen-2-yl]ethanimine has a molecular weight of 621.41 g/mol, XLogP of 10.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiron;N-(9H-fluoren-2-yl)-1-[5-[N-(9H-fluoren-2-yl)-C-methylcarbonimidoyl]thiophen-2-yl]ethanimine is sourced from PubChem (CID 20701979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).