tris(cyclopentane);4-[(Z)-2-cyclopentyl-1-[4-[3-(dimethylamino)propoxy]phenyl]but-1-enyl]phenol;4-[2-cyclopentyl-1-(4-hydroxyphenyl)but-1-enyl]phenol;4-[(Z)-2-cyclopentyl-1-phenylbut-1-enyl]phenol;iron

C83H113Fe3NO5 — CID 162284270

IUPACtris(cyclopentane);4-[(Z)-2-cyclopentyl-1-[4-[3-(dimethylamino)propoxy]phenyl]but-1-enyl]phenol;4-[2-cyclopentyl-1-(4-hydroxyphenyl)but-1-enyl]phenol;4-[(Z)-2-cyclopentyl-1-phenylbut-1-enyl]phenol;iron
SMILESC1CCCC1.C1CCCC1.C1CCCC1.CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCCN(C)C)cc1)C1CCCC1.CC/C(=C(\c1ccccc1)c1ccc(O)cc1)C1CCCC1.CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)C1CCCC1.[Fe].[Fe].[Fe]
InChIInChI=1S/C26H35NO2.C21H24O2.C21H24O.3C5H10.3Fe/c1-4-25(20-8-5-6-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-7-18-27(2)3;1-2-20(15-5-3-4-6-15)21(16-7-11-18(22)12-8-16)17-9-13-19(23)14-10-17;1-2-20(16-8-6-7-9-16)21(17-10-4-3-5-11-17)18-12-14-19(22)15-13-18;3*1-2-4-5-3-1;;;/h10-17,20,28H,4-9,18-19H2,1-3H3;7-15,22-23H,2-6H2,1H3;3-5,10-16,22H,2,6-9H2,1H3;3*1-5H2;;;/b26-25-;;21-20-;;;;;;
InChIKeyBZADTLCIAOLJLX-FXCHOXFGSA-N
MW1372.35 g/mol
LogP23.26
Rot. Bonds17

About tris(cyclopentane);4-[(Z)-2-cyclopentyl-1-[4-[3-(dimethylamino)propoxy]phenyl]but-1-enyl]phenol;4-[2-cyclopentyl-1-(4-hydroxyphenyl)but-1-enyl]phenol;4-[(Z)-2-cyclopentyl-1-phenylbut-1-enyl]phenol;iron

tris(cyclopentane);4-[(Z)-2-cyclopentyl-1-[4-[3-(dimethylamino)propoxy]phenyl]but-1-enyl]phenol;4-[2-cyclopentyl-1-(4-hydroxyphenyl)but-1-enyl]phenol;4-[(Z)-2-cyclopentyl-1-phenylbut-1-enyl]phenol;iron (PubChem CID 162284270) has the molecular formula C83H113Fe3NO5 and a molecular weight of 1372.35 g/mol. Its IUPAC name is tris(cyclopentane);4-[(Z)-2-cyclopentyl-1-[4-[3-(dimethylamino)propoxy]phenyl]but-1-enyl]phenol;4-[2-cyclopentyl-1-(4-hydroxyphenyl)but-1-enyl]phenol;4-[(Z)-2-cyclopentyl-1-phenylbut-1-enyl]phenol;iron.

Molecular Properties

Compound Nametris(cyclopentane);4-[(Z)-2-cyclopentyl-1-[4-[3-(dimethylamino)propoxy]phenyl]but-1-enyl]phenol;4-[2-cyclopentyl-1-(4-hydroxyphenyl)but-1-enyl]phenol;4-[(Z)-2-cyclopentyl-1-phenylbut-1-enyl]phenol;iron
PubChem CID162284270
Molecular FormulaC83H113Fe3NO5
Molecular Weight1372.35 g/mol
Exact Mass1371.67
IUPAC Nametris(cyclopentane);4-[(Z)-2-cyclopentyl-1-[4-[3-(dimethylamino)propoxy]phenyl]but-1-enyl]phenol;4-[2-cyclopentyl-1-(4-hydroxyphenyl)but-1-enyl]phenol;4-[(Z)-2-cyclopentyl-1-phenylbut-1-enyl]phenol;iron
SMILESC1CCCC1.C1CCCC1.C1CCCC1.CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCCN(C)C)cc1)C1CCCC1.CC/C(=C(\c1ccccc1)c1ccc(O)cc1)C1CCCC1.CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)C1CCCC1.[Fe].[Fe].[Fe]
InChIInChI=1S/C26H35NO2.C21H24O2.C21H24O.3C5H10.3Fe/c1-4-25(20-8-5-6-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-7-18-27(2)3;1-2-20(15-5-3-4-6-15)21(16-7-11-18(22)12-8-16)17-9-13-19(23)14-10-17;1-2-20(16-8-6-7-9-16)21(17-10-4-3-5-11-17)18-12-14-19(22)15-13-18;3*1-2-4-5-3-1;;;/h10-17,20,28H,4-9,18-19H2,1-3H3;7-15,22-23H,2-6H2,1H3;3-5,10-16,22H,2,6-9H2,1H3;3*1-5H2;;;/b26-25-;;21-20-;;;;;;
InChIKeyBZADTLCIAOLJLX-FXCHOXFGSA-N
XLogP23.26
TPSA93.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001372.35
LogP ≤ 523.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tris(cyclopentane);4-[(Z)-2-cyclopentyl-1-[4-[3-(dimethylamino)propoxy]phenyl]but-1-enyl]phenol;4-[2-cyclopentyl-1-(4-hydroxyphenyl)but-1-enyl]phenol;4-[(Z)-2-cyclopentyl-1-phenylbut-1-enyl]phenol;iron with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(Z)-1-[4-[6-(dimethylamino)hexoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 70452870
(E)-6-(4-butoxyphenyl)-5-cyclopentyl-6-[4-[3-(dimethylamino)propoxy]phenyl]hex-5-en-2-one
CID 162278143
2-[4-[2-cyclopentyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylethenyl]phenoxy]-N,N-dimethylethanamine
CID 172640286
3-[4-[(Z)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 67686127
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)but-1-enyl]phenol
CID 15819111
4-[2-(3-cyclopentylcyclopentyl)-1-phenylbut-1-enyl]phenol
CID 91472971
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenylmethoxyphenyl)but-1-enyl]phenol
CID 70684715
4-[(Z)-1-[4-(2-chloroethoxy)phenyl]-2-phenylbut-1-enyl]phenol
CID 6372844
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
CID 159812426
CID 11353698
CID 11353698
3-[4-[(Z)-1-(4-chlorophenyl)-2-(4-methoxyphenyl)but-1-enyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 155806144
CID 11827476
CID 11827476

Frequently Asked Questions

What is the IUPAC name of tris(cyclopentane);4-[(Z)-2-cyclopentyl-1-[4-[3-(dimethylamino)propoxy]phenyl]but-1-enyl]phenol;4-[2-cyclopentyl-1-(4-hydroxyphenyl)but-1-enyl]phenol;4-[(Z)-2-cyclopentyl-1-phenylbut-1-enyl]phenol;iron?
The IUPAC name of tris(cyclopentane);4-[(Z)-2-cyclopentyl-1-[4-[3-(dimethylamino)propoxy]phenyl]but-1-enyl]phenol;4-[2-cyclopentyl-1-(4-hydroxyphenyl)but-1-enyl]phenol;4-[(Z)-2-cyclopentyl-1-phenylbut-1-enyl]phenol;iron (CID 162284270) is tris(cyclopentane);4-[(Z)-2-cyclopentyl-1-[4-[3-(dimethylamino)propoxy]phenyl]but-1-enyl]phenol;4-[2-cyclopentyl-1-(4-hydroxyphenyl)but-1-enyl]phenol;4-[(Z)-2-cyclopentyl-1-phenylbut-1-enyl]phenol;iron.
What is the SMILES notation for tris(cyclopentane);4-[(Z)-2-cyclopentyl-1-[4-[3-(dimethylamino)propoxy]phenyl]but-1-enyl]phenol;4-[2-cyclopentyl-1-(4-hydroxyphenyl)but-1-enyl]phenol;4-[(Z)-2-cyclopentyl-1-phenylbut-1-enyl]phenol;iron?
The canonical SMILES for tris(cyclopentane);4-[(Z)-2-cyclopentyl-1-[4-[3-(dimethylamino)propoxy]phenyl]but-1-enyl]phenol;4-[2-cyclopentyl-1-(4-hydroxyphenyl)but-1-enyl]phenol;4-[(Z)-2-cyclopentyl-1-phenylbut-1-enyl]phenol;iron is C1CCCC1.C1CCCC1.C1CCCC1.CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCCN(C)C)cc1)C1CCCC1.CC/C(=C(\c1ccccc1)c1ccc(O)cc1)C1CCCC1.CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)C1CCCC1.[Fe].[Fe].[Fe].
What is the InChIKey of tris(cyclopentane);4-[(Z)-2-cyclopentyl-1-[4-[3-(dimethylamino)propoxy]phenyl]but-1-enyl]phenol;4-[2-cyclopentyl-1-(4-hydroxyphenyl)but-1-enyl]phenol;4-[(Z)-2-cyclopentyl-1-phenylbut-1-enyl]phenol;iron?
The InChIKey is BZADTLCIAOLJLX-FXCHOXFGSA-N. The full InChI is InChI=1S/C26H35NO2.C21H24O2.C21H24O.3C5H10.3Fe/c1-4-25(20-8-5-6-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-7-18-27(2)3;1-2-20(15-5-3-4-6-15)21(16-7-11-18(22)12-8-16)17-9-13-19(23)14-10-17;1-2-20(16-8-6-7-9-16)21(17-10-4-3-5-11-17)18-12-14-19(22)15-13-18;3*1-2-4-5-3-1;;;/h10-17,20,28H,4-9,18-19H2,1-3H3;7-15,22-23H,2-6H2,1H3;3-5,10-16,22H,2,6-9H2,1H3;3*1-5H2;;;/b26-25-;;21-20-;;;;;;.
What are the key properties of tris(cyclopentane);4-[(Z)-2-cyclopentyl-1-[4-[3-(dimethylamino)propoxy]phenyl]but-1-enyl]phenol;4-[2-cyclopentyl-1-(4-hydroxyphenyl)but-1-enyl]phenol;4-[(Z)-2-cyclopentyl-1-phenylbut-1-enyl]phenol;iron?
tris(cyclopentane);4-[(Z)-2-cyclopentyl-1-[4-[3-(dimethylamino)propoxy]phenyl]but-1-enyl]phenol;4-[2-cyclopentyl-1-(4-hydroxyphenyl)but-1-enyl]phenol;4-[(Z)-2-cyclopentyl-1-phenylbut-1-enyl]phenol;iron has a molecular weight of 1372.35 g/mol, XLogP of 23.26, 17 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(cyclopentane);4-[(Z)-2-cyclopentyl-1-[4-[3-(dimethylamino)propoxy]phenyl]but-1-enyl]phenol;4-[2-cyclopentyl-1-(4-hydroxyphenyl)but-1-enyl]phenol;4-[(Z)-2-cyclopentyl-1-phenylbut-1-enyl]phenol;iron is sourced from PubChem (CID 162284270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).