tris(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydroindol-1-id-2-yl)methanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;(2,3,4,5-tetraphenylcyclopentyl)benzene

C142H136Br6F6Fe3N7Ni3O6 — CID 162274766

IUPACtris(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydroindol-1-id-2-yl)methanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;(2,3,4,5-tetraphenylcyclopentyl)benzene
SMILESBr[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.C(=N/c1cccc2cccnc12)\c1ccc[n-]1.CC(C)c1ccccc1/N=C/c1cc2c([n-]1)CCCC2.CC1C(C)C(C)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C.COc1ccc(C2C(c3ccc(OC)cc3)C(c3ccc(OC)cc3)C(c3ccc(OC)cc3)C2c2ccc(OC)cc2)cc1.COc1ccccc1-c1ccccc1/N=C/c1ccc[n-]1.[Fe].[Fe].[Fe].c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C40H40O5.C35H30.C18H15N2O.C18H21N2.C17H20F6.C14H10N3.6BrH.3Fe.3Ni/c1-41-31-16-6-26(7-17-31)36-37(27-8-18-32(42-2)19-9-27)39(29-12-22-34(44-4)23-13-29)40(30-14-24-35(45-5)25-15-30)38(36)28-10-20-33(43-3)21-11-28;1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;1-21-18-11-5-3-9-16(18)15-8-2-4-10-17(15)20-13-14-7-6-12-19-14;1-13(2)16-8-4-6-10-18(16)19-12-15-11-14-7-3-5-9-17(14)20-15;1-8-9(2)11(4)15(10(8)3)12-5-13(16(18,19)20)7-14(6-12)17(21,22)23;1-4-11-5-2-9-16-14(11)13(7-1)17-10-12-6-3-8-15-12;;;;;;;;;;;;/h6-25,36-40H,1-5H3;1-25,31-35H;2-13H,1H3;4,6,8,10-13H,3,5,7,9H2,1-2H3;5-11,15H,1-4H3;1-10H;6*1H;;;;;;/q;;2*-1;;-1;;;;;;;;;;3*+3/p-6/b;;20-13+;19-12+;;17-10+;;;;;;;;;;;;
InChIKeyFLGFMWMYVDYATC-WKOYHCCRSA-H
MW2973.72 g/mol
LogP40.71
Rot. Bonds25

About tris(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydroindol-1-id-2-yl)methanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;(2,3,4,5-tetraphenylcyclopentyl)benzene

tris(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydroindol-1-id-2-yl)methanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;(2,3,4,5-tetraphenylcyclopentyl)benzene (PubChem CID 162274766) has the molecular formula C142H136Br6F6Fe3N7Ni3O6 and a molecular weight of 2973.72 g/mol. Its IUPAC name is tris(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydroindol-1-id-2-yl)methanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;(2,3,4,5-tetraphenylcyclopentyl)benzene.

Molecular Properties

Compound Nametris(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydroindol-1-id-2-yl)methanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;(2,3,4,5-tetraphenylcyclopentyl)benzene
PubChem CID162274766
Molecular FormulaC142H136Br6F6Fe3N7Ni3O6
Molecular Weight2973.72 g/mol
Exact Mass2964.17
IUPAC Nametris(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydroindol-1-id-2-yl)methanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;(2,3,4,5-tetraphenylcyclopentyl)benzene
SMILESBr[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.C(=N/c1cccc2cccnc12)\c1ccc[n-]1.CC(C)c1ccccc1/N=C/c1cc2c([n-]1)CCCC2.CC1C(C)C(C)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C.COc1ccc(C2C(c3ccc(OC)cc3)C(c3ccc(OC)cc3)C(c3ccc(OC)cc3)C2c2ccc(OC)cc2)cc1.COc1ccccc1-c1ccccc1/N=C/c1ccc[n-]1.[Fe].[Fe].[Fe].c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C40H40O5.C35H30.C18H15N2O.C18H21N2.C17H20F6.C14H10N3.6BrH.3Fe.3Ni/c1-41-31-16-6-26(7-17-31)36-37(27-8-18-32(42-2)19-9-27)39(29-12-22-34(44-4)23-13-29)40(30-14-24-35(45-5)25-15-30)38(36)28-10-20-33(43-3)21-11-28;1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;1-21-18-11-5-3-9-16(18)15-8-2-4-10-17(15)20-13-14-7-6-12-19-14;1-13(2)16-8-4-6-10-18(16)19-12-15-11-14-7-3-5-9-17(14)20-15;1-8-9(2)11(4)15(10(8)3)12-5-13(16(18,19)20)7-14(6-12)17(21,22)23;1-4-11-5-2-9-16-14(11)13(7-1)17-10-12-6-3-8-15-12;;;;;;;;;;;;/h6-25,36-40H,1-5H3;1-25,31-35H;2-13H,1H3;4,6,8,10-13H,3,5,7,9H2,1-2H3;5-11,15H,1-4H3;1-10H;6*1H;;;;;;/q;;2*-1;;-1;;;;;;;;;;3*+3/p-6/b;;20-13+;19-12+;;17-10+;;;;;;;;;;;;
InChIKeyFLGFMWMYVDYATC-WKOYHCCRSA-H
XLogP40.71
TPSA147.65 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms173
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002973.72
LogP ≤ 540.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze tris(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydroindol-1-id-2-yl)methanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;(2,3,4,5-tetraphenylcyclopentyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydroindol-1-id-2-yl)methanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;(2,3,4,5-tetraphenylcyclopentyl)benzene?
The IUPAC name of tris(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydroindol-1-id-2-yl)methanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;(2,3,4,5-tetraphenylcyclopentyl)benzene (CID 162274766) is tris(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydroindol-1-id-2-yl)methanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;(2,3,4,5-tetraphenylcyclopentyl)benzene.
What is the SMILES notation for tris(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydroindol-1-id-2-yl)methanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;(2,3,4,5-tetraphenylcyclopentyl)benzene?
The canonical SMILES for tris(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydroindol-1-id-2-yl)methanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;(2,3,4,5-tetraphenylcyclopentyl)benzene is Br[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.C(=N/c1cccc2cccnc12)\c1ccc[n-]1.CC(C)c1ccccc1/N=C/c1cc2c([n-]1)CCCC2.CC1C(C)C(C)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C.COc1ccc(C2C(c3ccc(OC)cc3)C(c3ccc(OC)cc3)C(c3ccc(OC)cc3)C2c2ccc(OC)cc2)cc1.COc1ccccc1-c1ccccc1/N=C/c1ccc[n-]1.[Fe].[Fe].[Fe].c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.
What is the InChIKey of tris(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydroindol-1-id-2-yl)methanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;(2,3,4,5-tetraphenylcyclopentyl)benzene?
The InChIKey is FLGFMWMYVDYATC-WKOYHCCRSA-H. The full InChI is InChI=1S/C40H40O5.C35H30.C18H15N2O.C18H21N2.C17H20F6.C14H10N3.6BrH.3Fe.3Ni/c1-41-31-16-6-26(7-17-31)36-37(27-8-18-32(42-2)19-9-27)39(29-12-22-34(44-4)23-13-29)40(30-14-24-35(45-5)25-15-30)38(36)28-10-20-33(43-3)21-11-28;1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;1-21-18-11-5-3-9-16(18)15-8-2-4-10-17(15)20-13-14-7-6-12-19-14;1-13(2)16-8-4-6-10-18(16)19-12-15-11-14-7-3-5-9-17(14)20-15;1-8-9(2)11(4)15(10(8)3)12-5-13(16(18,19)20)7-14(6-12)17(21,22)23;1-4-11-5-2-9-16-14(11)13(7-1)17-10-12-6-3-8-15-12;;;;;;;;;;;;/h6-25,36-40H,1-5H3;1-25,31-35H;2-13H,1H3;4,6,8,10-13H,3,5,7,9H2,1-2H3;5-11,15H,1-4H3;1-10H;6*1H;;;;;;/q;;2*-1;;-1;;;;;;;;;;3*+3/p-6/b;;20-13+;19-12+;;17-10+;;;;;;;;;;;;.
What are the key properties of tris(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydroindol-1-id-2-yl)methanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;(2,3,4,5-tetraphenylcyclopentyl)benzene?
tris(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydroindol-1-id-2-yl)methanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;(2,3,4,5-tetraphenylcyclopentyl)benzene has a molecular weight of 2973.72 g/mol, XLogP of 40.71, 25 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydroindol-1-id-2-yl)methanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;(2,3,4,5-tetraphenylcyclopentyl)benzene is sourced from PubChem (CID 162274766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).