5CC

4,4'-{2-[3-(phenylamino)phenyl]but-1-ene-1,1-diyl}diphenol

Created:	2015-09-04
Last modified:	2016-05-04

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1 entries where 5CC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	0
Bond Count	59
Aromatic Bond Count	24

2D diagram of 5CC

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Chemical Component Summary
Name	4,4'-{2-[3-(phenylamino)phenyl]but-1-ene-1,1-diyl}diphenol
Systematic Name (OpenEye OEToolkits)	4-[1-(4-hydroxyphenyl)-2-(3-phenylazanylphenyl)but-1-enyl]phenol
Formula	C₂₈ H₂₅ N O₂
Molecular Weight	407.504
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC/C(c1cc(ccc1)Nc2ccccc2)=C(/c3ccc(cc3)O)c4ccc(cc4)O
SMILES	CACTVS	3.385	CCC(c1cccc(Nc2ccccc2)c1)=C(c3ccc(O)cc3)c4ccc(O)cc4
SMILES	OpenEye OEToolkits	1.9.2	CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4
Canonical SMILES	CACTVS	3.385	CCC(c1cccc(Nc2ccccc2)c1)=C(c3ccc(O)cc3)c4ccc(O)cc4
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4
InChI	InChI	1.03	InChI=1S/C28H25NO2/c1-2-27(22-7-6-10-24(19-22)29-23-8-4-3-5-9-23)28(20-11-15-25(30)16-12-20)21-13-17-26(31)18-14-21/h3-19,29-31H,2H2,1H3
InChIKey	InChI	1.03	RFOPQFVGWFBJRC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137348337

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