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)

C79H82Cl4Fe2N4P2+2 — CID 158673041

IUPACbis(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)
SMILESCc1cc(C)cc([PH+](CC/N=C2C(=N/c3c(C)cc(C)cc3C)/c3cccc4cccc/2c34)c2cc(C)cc(C)c2)c1.Cc1cc(C)cc([PH+](CC/N=C2C(=N/c3c(C)cccc3C(C)C)/c3cccc4cccc/2c34)c2cc(C)cc(C)c2)c1.Cl[Fe]Cl.Cl[Fe]Cl
InChIInChI=1S/C40H41N2P.C39H39N2P.4ClH.2Fe/c1-25(2)34-14-8-11-30(7)38(34)42-40-36-16-10-13-31-12-9-15-35(37(31)36)39(40)41-17-18-43(32-21-26(3)19-27(4)22-32)33-23-28(5)20-29(6)24-33;1-24-16-25(2)21-32(20-24)42(33-22-26(3)17-27(4)23-33)15-14-40-38-34-12-8-10-31-11-9-13-35(36(31)34)39(38)41-37-29(6)18-28(5)19-30(37)7;;;;;;/h8-16,19-25H,17-18H2,1-7H3;8-13,16-23H,14-15H2,1-7H3;4*1H;;/q;;;;;;2*+2/p-2/b41-39+,42-40+;40-38+,41-39+;;;;;;
InChIKeyRDCLMZKUGBGKNX-QFLDOGMASA-L
MW1403.00 g/mol
LogP20.83
Rot. Bonds13

About 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)

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) (PubChem CID 158673041) has the molecular formula C79H82Cl4Fe2N4P2+2 and a molecular weight of 1403.00 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Namebis(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)
PubChem CID158673041
Molecular FormulaC79H82Cl4Fe2N4P2+2
Molecular Weight1403.00 g/mol
Exact Mass1400.35
IUPAC Namebis(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)
SMILESCc1cc(C)cc([PH+](CC/N=C2C(=N/c3c(C)cc(C)cc3C)/c3cccc4cccc/2c34)c2cc(C)cc(C)c2)c1.Cc1cc(C)cc([PH+](CC/N=C2C(=N/c3c(C)cccc3C(C)C)/c3cccc4cccc/2c34)c2cc(C)cc(C)c2)c1.Cl[Fe]Cl.Cl[Fe]Cl
InChIInChI=1S/C40H41N2P.C39H39N2P.4ClH.2Fe/c1-25(2)34-14-8-11-30(7)38(34)42-40-36-16-10-13-31-12-9-15-35(37(31)36)39(40)41-17-18-43(32-21-26(3)19-27(4)22-32)33-23-28(5)20-29(6)24-33;1-24-16-25(2)21-32(20-24)42(33-22-26(3)17-27(4)23-33)15-14-40-38-34-12-8-10-31-11-9-13-35(36(31)34)39(38)41-37-29(6)18-28(5)19-30(37)7;;;;;;/h8-16,19-25H,17-18H2,1-7H3;8-13,16-23H,14-15H2,1-7H3;4*1H;;/q;;;;;;2*+2/p-2/b41-39+,42-40+;40-38+,41-39+;;;;;;
InChIKeyRDCLMZKUGBGKNX-QFLDOGMASA-L
XLogP20.83
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001403.00
LogP ≤ 520.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 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) with MolForge

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Related Compounds

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
2-[[2-(2,6-ditert-butylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl-diphenylphosphanium;dichloroiron
CID 58959076
1-N,2-N-bis[4-methyl-2,6-di(propan-2-yl)phenyl]acenaphthylene-1,2-diimine
CID 102242944
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(2,4,6-trimethylphenyl)acenaphthylene-1,2-diimine;bromonickel;carbanide
CID 20789300
1-N,2-N-bis(2-benzhydryl-4,6-dimethylphenyl)acenaphthylene-1,2-diimine
CID 132837350
2-N-(2,6-dimethylphenyl)-1-N-(2-morpholin-4-ylethyl)acenaphthylene-1,2-diimine
CID 58722068
1-N-(4-chlorophenyl)-2-N-[2,6-di(propan-2-yl)phenyl]acenaphthylene-1,2-diimine
CID 90084908
1-N,2-N-bis(4-tert-butyl-2,6-dimethylphenyl)acenaphthylene-1,2-diimine
CID 20789308
4-[[2-[2,6-di(propan-2-yl)phenyl]iminoacenaphthylen-1-ylidene]amino]-N,N-dimethylaniline
CID 90084884
1-N-[2-[bis(4-fluorophenyl)methyl]-4,6-dimethylphenyl]-2-N-(2,6-diethylphenyl)acenaphthylene-1,2-diimine
CID 122229833
1-N,2-N-bis[2,6-di(propan-2-yl)-4-prop-2-enylphenyl]acenaphthylene-1,2-diimine
CID 21083110

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is Cc1cc(C)cc([PH+](CC/N=C2C(=N/c3c(C)cc(C)cc3C)/c3cccc4cccc/2c34)c2cc(C)cc(C)c2)c1.Cc1cc(C)cc([PH+](CC/N=C2C(=N/c3c(C)cccc3C(C)C)/c3cccc4cccc/2c34)c2cc(C)cc(C)c2)c1.Cl[Fe]Cl.Cl[Fe]Cl.
What is the InChIKey of 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)?
The InChIKey is RDCLMZKUGBGKNX-QFLDOGMASA-L. The full InChI is InChI=1S/C40H41N2P.C39H39N2P.4ClH.2Fe/c1-25(2)34-14-8-11-30(7)38(34)42-40-36-16-10-13-31-12-9-15-35(37(31)36)39(40)41-17-18-43(32-21-26(3)19-27(4)22-32)33-23-28(5)20-29(6)24-33;1-24-16-25(2)21-32(20-24)42(33-22-26(3)17-27(4)23-33)15-14-40-38-34-12-8-10-31-11-9-13-35(36(31)34)39(38)41-37-29(6)18-28(5)19-30(37)7;;;;;;/h8-16,19-25H,17-18H2,1-7H3;8-13,16-23H,14-15H2,1-7H3;4*1H;;/q;;;;;;2*+2/p-2/b41-39+,42-40+;40-38+,41-39+;;;;;;.
What are the key properties of 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)?
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) has a molecular weight of 1403.00 g/mol, XLogP of 20.83, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 158673041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).