5C4

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

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

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1 entries where 5C4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	0
Bond Count	56
Aromatic Bond Count	24

2D diagram of 5C4

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Chemical Component Summary
Name	4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol
Systematic Name (OpenEye OEToolkits)	4-[1-(4-hydroxyphenyl)-2-(3-phenylazanylphenyl)prop-1-enyl]phenol
Formula	C₂₇ H₂₃ N O₂
Molecular Weight	393.477
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1ccc(cc1)/C(c2ccc(cc2)O)=C(/c3cc(ccc3)Nc4ccccc4)C
SMILES	CACTVS	3.385	CC(c1cccc(Nc2ccccc2)c1)=C(c3ccc(O)cc3)c4ccc(O)cc4
SMILES	OpenEye OEToolkits	1.9.2	CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4
Canonical SMILES	CACTVS	3.385	CC(c1cccc(Nc2ccccc2)c1)=C(c3ccc(O)cc3)c4ccc(O)cc4
Canonical SMILES	OpenEye OEToolkits	1.9.2	CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4
InChI	InChI	1.03	InChI=1S/C27H23NO2/c1-19(22-6-5-9-24(18-22)28-23-7-3-2-4-8-23)27(20-10-14-25(29)15-11-20)21-12-16-26(30)17-13-21/h2-18,28-30H,1H3
InChIKey	InChI	1.03	AXELJSDCRZDVCM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	118988373

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