2-[[2-(2,5-ditert-butylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl-diphenylphosphanium;tetrakis(dichloroiron);diphenyl-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium;2-[[2-[2,6-di(propan-2-yl)phenyl]iminoacenaphthylen-1-ylidene]amino]ethyl-di(propan-2-yl)phosphanium;di(propan-2-yl)-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium

C136H152Cl8Fe4N8P4+4 — CID 161141796

IUPAC2-[[2-(2,5-ditert-butylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl-diphenylphosphanium;tetrakis(dichloroiron);diphenyl-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium;2-[[2-[2,6-di(propan-2-yl)phenyl]iminoacenaphthylen-1-ylidene]amino]ethyl-di(propan-2-yl)phosphanium;di(propan-2-yl)-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium
SMILESCC(C)(C)c1ccc(C(C)(C)C)c(/N=C2C(=N/CC[PH+](c3ccccc3)c3ccccc3)/c3cccc4cccc/2c34)c1.CC(C)c1cccc(C(C)C)c1/N=C1C(=N/CC[PH+](C(C)C)C(C)C)/c2cccc3cccc/1c23.Cc1cc(C)c(/N=C2C(=N/CC[PH+](C(C)C)C(C)C)/c3cccc4cccc/2c34)c(C)c1.Cc1cc(C)c(/N=C2C(=N/CC[PH+](c3ccccc3)c3ccccc3)/c3cccc4cccc/2c34)c(C)c1.Cl[Fe]Cl.Cl[Fe]Cl.Cl[Fe]Cl.Cl[Fe]Cl
InChIInChI=1S/C40H41N2P.C35H31N2P.C32H41N2P.C29H35N2P.8ClH.4Fe/c1-39(2,3)29-23-24-34(40(4,5)6)35(27-29)42-38-33-22-14-16-28-15-13-21-32(36(28)33)37(38)41-25-26-43(30-17-9-7-10-18-30)31-19-11-8-12-20-31;1-24-22-25(2)33(26(3)23-24)37-35-31-19-11-13-27-12-10-18-30(32(27)31)34(35)36-20-21-38(28-14-6-4-7-15-28)29-16-8-5-9-17-29;1-20(2)25-14-11-15-26(21(3)4)30(25)34-32-28-17-10-13-24-12-9-16-27(29(24)28)31(32)33-18-19-35(22(5)6)23(7)8;1-18(2)32(19(3)4)15-14-30-28-24-12-8-10-23-11-9-13-25(26(23)24)29(28)31-27-21(6)16-20(5)17-22(27)7;;;;;;;;;;;;/h7-24,27H,25-26H2,1-6H3;4-19,22-23H,20-21H2,1-3H3;9-17,20-23H,18-19H2,1-8H3;8-13,16-19H,14-15H2,1-7H3;8*1H;;;;/q;;;;;;;;;;;;4*+2/p-4/b41-37+,42-38+;36-34+,37-35+;33-31+,34-32+;30-28+,31-29+;;;;;;;;;;;;
InChIKeyCIEJUPVDJAURGN-HMUMYJPFSA-J
MW2529.67 g/mol
LogP39.04
Rot. Bonds26

About 2-[[2-(2,5-ditert-butylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl-diphenylphosphanium;tetrakis(dichloroiron);diphenyl-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium;2-[[2-[2,6-di(propan-2-yl)phenyl]iminoacenaphthylen-1-ylidene]amino]ethyl-di(propan-2-yl)phosphanium;di(propan-2-yl)-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium

2-[[2-(2,5-ditert-butylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl-diphenylphosphanium;tetrakis(dichloroiron);diphenyl-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium;2-[[2-[2,6-di(propan-2-yl)phenyl]iminoacenaphthylen-1-ylidene]amino]ethyl-di(propan-2-yl)phosphanium;di(propan-2-yl)-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium (PubChem CID 161141796) has the molecular formula C136H152Cl8Fe4N8P4+4 and a molecular weight of 2529.67 g/mol. Its IUPAC name is 2-[[2-(2,5-ditert-butylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl-diphenylphosphanium;tetrakis(dichloroiron);diphenyl-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium;2-[[2-[2,6-di(propan-2-yl)phenyl]iminoacenaphthylen-1-ylidene]amino]ethyl-di(propan-2-yl)phosphanium;di(propan-2-yl)-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium.

Molecular Properties

Compound Name2-[[2-(2,5-ditert-butylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl-diphenylphosphanium;tetrakis(dichloroiron);diphenyl-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium;2-[[2-[2,6-di(propan-2-yl)phenyl]iminoacenaphthylen-1-ylidene]amino]ethyl-di(propan-2-yl)phosphanium;di(propan-2-yl)-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium
PubChem CID161141796
Molecular FormulaC136H152Cl8Fe4N8P4+4
Molecular Weight2529.67 g/mol
Exact Mass2524.60
IUPAC Name2-[[2-(2,5-ditert-butylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl-diphenylphosphanium;tetrakis(dichloroiron);diphenyl-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium;2-[[2-[2,6-di(propan-2-yl)phenyl]iminoacenaphthylen-1-ylidene]amino]ethyl-di(propan-2-yl)phosphanium;di(propan-2-yl)-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium
SMILESCC(C)(C)c1ccc(C(C)(C)C)c(/N=C2C(=N/CC[PH+](c3ccccc3)c3ccccc3)/c3cccc4cccc/2c34)c1.CC(C)c1cccc(C(C)C)c1/N=C1C(=N/CC[PH+](C(C)C)C(C)C)/c2cccc3cccc/1c23.Cc1cc(C)c(/N=C2C(=N/CC[PH+](C(C)C)C(C)C)/c3cccc4cccc/2c34)c(C)c1.Cc1cc(C)c(/N=C2C(=N/CC[PH+](c3ccccc3)c3ccccc3)/c3cccc4cccc/2c34)c(C)c1.Cl[Fe]Cl.Cl[Fe]Cl.Cl[Fe]Cl.Cl[Fe]Cl
InChIInChI=1S/C40H41N2P.C35H31N2P.C32H41N2P.C29H35N2P.8ClH.4Fe/c1-39(2,3)29-23-24-34(40(4,5)6)35(27-29)42-38-33-22-14-16-28-15-13-21-32(36(28)33)37(38)41-25-26-43(30-17-9-7-10-18-30)31-19-11-8-12-20-31;1-24-22-25(2)33(26(3)23-24)37-35-31-19-11-13-27-12-10-18-30(32(27)31)34(35)36-20-21-38(28-14-6-4-7-15-28)29-16-8-5-9-17-29;1-20(2)25-14-11-15-26(21(3)4)30(25)34-32-28-17-10-13-24-12-9-16-27(29(24)28)31(32)33-18-19-35(22(5)6)23(7)8;1-18(2)32(19(3)4)15-14-30-28-24-12-8-10-23-11-9-13-25(26(23)24)29(28)31-27-21(6)16-20(5)17-22(27)7;;;;;;;;;;;;/h7-24,27H,25-26H2,1-6H3;4-19,22-23H,20-21H2,1-3H3;9-17,20-23H,18-19H2,1-8H3;8-13,16-19H,14-15H2,1-7H3;8*1H;;;;/q;;;;;;;;;;;;4*+2/p-4/b41-37+,42-38+;36-34+,37-35+;33-31+,34-32+;30-28+,31-29+;;;;;;;;;;;;
InChIKeyCIEJUPVDJAURGN-HMUMYJPFSA-J
XLogP39.04
TPSA98.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds26
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002529.67
LogP ≤ 539.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-[[2-(2,5-ditert-butylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl-diphenylphosphanium;tetrakis(dichloroiron);diphenyl-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium;2-[[2-[2,6-di(propan-2-yl)phenyl]iminoacenaphthylen-1-ylidene]amino]ethyl-di(propan-2-yl)phosphanium;di(propan-2-yl)-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium with MolForge

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Related Compounds

bis(3,5-dimethylphenyl)-[2-[[2-(2-methyl-6-propan-2-ylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium;bis(3,5-dimethylphenyl)-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium;bis(dichloroiron)
CID 158673041
2-[[2-(2,6-ditert-butylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl-diphenylphosphanium;dichloroiron
CID 58959076
dichloroiron;2-N-[2,6-di(propan-2-yl)phenyl]-1-N-(2-pyridin-2-ylethyl)acenaphthylene-1,2-diimine
CID 58722039
1-N,2-N-bis[4-methyl-2,6-di(propan-2-yl)phenyl]acenaphthylene-1,2-diimine
CID 102242944
1-N,2-N-bis(4-tert-butyl-2,6-dimethylphenyl)acenaphthylene-1,2-diimine
CID 20789308
2-N-(2,5-ditert-butylphenyl)-3-N-[2,6-di(propan-2-yl)phenyl]-1,4-dithiane-2,3-diimine;nickel
CID 87859087
1-N,2-N-bis(2-benzhydryl-4,6-dimethylphenyl)acenaphthylene-1,2-diimine
CID 132837350
1-N,2-N-bis(2,4,6-trimethylphenyl)acenaphthylene-1,2-diimine;bromonickel;carbanide
CID 20789300
1-N,2-N-bis(4-bromo-2,6-dimethylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(4-tert-butyl-2,6-dimethylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2,6-dimethylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2-phenylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2-propan-2-ylphenyl)acenaphthylene-1,2-diimine;carbanide;pentakis(methyl 2-methylpropanoate);pentakis(nickel(2+))
CID 158253643
1-N-(2,5-ditert-butylphenyl)-2-N-[2,6-di(propan-2-yl)phenyl]cyclohexane-1,2-diimine;nickel
CID 87860447
2-N-[2,6-di(propan-2-yl)phenyl]-1-N-[4-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine
CID 90086005
1-N,2-N-bis(2-tert-butylphenyl)-3,3,6,6-tetramethylcyclohexane-1,2-diimine;1-N,2-N-bis(2,6-dimethylphenyl)-3,3,6,6-tetramethylcyclohexane-1,2-diimine;1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]-3,3,6,6-tetramethylcyclohexane-1,2-diimine;octakis(dichloronickel);3,3,6,6-tetramethyl-1-N,2-N-bis(2-phenylphenyl)cyclohexane-1,2-diimine;3,3,6,6-tetramethyl-1-N,2-N-bis(4-phenylphenyl)cyclohexane-1,2-diimine;3,3,6,6-tetramethyl-1-N,2-N-bis(2,4,6-trimethylphenyl)cyclohexane-1,2-diimine;3,3,6,6-tetramethyl-1-N,2-N-dinaphthalen-1-ylcyclohexane-1,2-diimine;3,3,6,6-tetramethyl-1-N,2-N-diphenylcyclohexane-1,2-diimine
CID 161438879

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-ditert-butylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl-diphenylphosphanium;tetrakis(dichloroiron);diphenyl-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium;2-[[2-[2,6-di(propan-2-yl)phenyl]iminoacenaphthylen-1-ylidene]amino]ethyl-di(propan-2-yl)phosphanium;di(propan-2-yl)-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium?
The IUPAC name of 2-[[2-(2,5-ditert-butylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl-diphenylphosphanium;tetrakis(dichloroiron);diphenyl-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium;2-[[2-[2,6-di(propan-2-yl)phenyl]iminoacenaphthylen-1-ylidene]amino]ethyl-di(propan-2-yl)phosphanium;di(propan-2-yl)-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium (CID 161141796) is 2-[[2-(2,5-ditert-butylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl-diphenylphosphanium;tetrakis(dichloroiron);diphenyl-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium;2-[[2-[2,6-di(propan-2-yl)phenyl]iminoacenaphthylen-1-ylidene]amino]ethyl-di(propan-2-yl)phosphanium;di(propan-2-yl)-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium.
What is the SMILES notation for 2-[[2-(2,5-ditert-butylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl-diphenylphosphanium;tetrakis(dichloroiron);diphenyl-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium;2-[[2-[2,6-di(propan-2-yl)phenyl]iminoacenaphthylen-1-ylidene]amino]ethyl-di(propan-2-yl)phosphanium;di(propan-2-yl)-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium?
The canonical SMILES for 2-[[2-(2,5-ditert-butylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl-diphenylphosphanium;tetrakis(dichloroiron);diphenyl-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium;2-[[2-[2,6-di(propan-2-yl)phenyl]iminoacenaphthylen-1-ylidene]amino]ethyl-di(propan-2-yl)phosphanium;di(propan-2-yl)-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium is CC(C)(C)c1ccc(C(C)(C)C)c(/N=C2C(=N/CC[PH+](c3ccccc3)c3ccccc3)/c3cccc4cccc/2c34)c1.CC(C)c1cccc(C(C)C)c1/N=C1C(=N/CC[PH+](C(C)C)C(C)C)/c2cccc3cccc/1c23.Cc1cc(C)c(/N=C2C(=N/CC[PH+](C(C)C)C(C)C)/c3cccc4cccc/2c34)c(C)c1.Cc1cc(C)c(/N=C2C(=N/CC[PH+](c3ccccc3)c3ccccc3)/c3cccc4cccc/2c34)c(C)c1.Cl[Fe]Cl.Cl[Fe]Cl.Cl[Fe]Cl.Cl[Fe]Cl.
What is the InChIKey of 2-[[2-(2,5-ditert-butylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl-diphenylphosphanium;tetrakis(dichloroiron);diphenyl-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium;2-[[2-[2,6-di(propan-2-yl)phenyl]iminoacenaphthylen-1-ylidene]amino]ethyl-di(propan-2-yl)phosphanium;di(propan-2-yl)-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium?
The InChIKey is CIEJUPVDJAURGN-HMUMYJPFSA-J. The full InChI is InChI=1S/C40H41N2P.C35H31N2P.C32H41N2P.C29H35N2P.8ClH.4Fe/c1-39(2,3)29-23-24-34(40(4,5)6)35(27-29)42-38-33-22-14-16-28-15-13-21-32(36(28)33)37(38)41-25-26-43(30-17-9-7-10-18-30)31-19-11-8-12-20-31;1-24-22-25(2)33(26(3)23-24)37-35-31-19-11-13-27-12-10-18-30(32(27)31)34(35)36-20-21-38(28-14-6-4-7-15-28)29-16-8-5-9-17-29;1-20(2)25-14-11-15-26(21(3)4)30(25)34-32-28-17-10-13-24-12-9-16-27(29(24)28)31(32)33-18-19-35(22(5)6)23(7)8;1-18(2)32(19(3)4)15-14-30-28-24-12-8-10-23-11-9-13-25(26(23)24)29(28)31-27-21(6)16-20(5)17-22(27)7;;;;;;;;;;;;/h7-24,27H,25-26H2,1-6H3;4-19,22-23H,20-21H2,1-3H3;9-17,20-23H,18-19H2,1-8H3;8-13,16-19H,14-15H2,1-7H3;8*1H;;;;/q;;;;;;;;;;;;4*+2/p-4/b41-37+,42-38+;36-34+,37-35+;33-31+,34-32+;30-28+,31-29+;;;;;;;;;;;;.
What are the key properties of 2-[[2-(2,5-ditert-butylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl-diphenylphosphanium;tetrakis(dichloroiron);diphenyl-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium;2-[[2-[2,6-di(propan-2-yl)phenyl]iminoacenaphthylen-1-ylidene]amino]ethyl-di(propan-2-yl)phosphanium;di(propan-2-yl)-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium?
2-[[2-(2,5-ditert-butylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl-diphenylphosphanium;tetrakis(dichloroiron);diphenyl-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium;2-[[2-[2,6-di(propan-2-yl)phenyl]iminoacenaphthylen-1-ylidene]amino]ethyl-di(propan-2-yl)phosphanium;di(propan-2-yl)-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium has a molecular weight of 2529.67 g/mol, XLogP of 39.04, 26 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-ditert-butylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl-diphenylphosphanium;tetrakis(dichloroiron);diphenyl-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium;2-[[2-[2,6-di(propan-2-yl)phenyl]iminoacenaphthylen-1-ylidene]amino]ethyl-di(propan-2-yl)phosphanium;di(propan-2-yl)-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium is sourced from PubChem (CID 161141796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).