bis(4-methoxyphenyl)-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]phosphanium;tert-butyl-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-phenylphosphanium;[[C-(4-tert-butylphenyl)-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-dimethylphosphanium;carbanide;pentakis(chromium(2+));[[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-bis(4-methoxyphenyl)phosphanium;[[N-(3,5-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-di(propan-2-yl)phosphanium

C142H194Cr5N10O4P5+5 — CID 159951137

IUPACbis(4-methoxyphenyl)-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]phosphanium;tert-butyl-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-phenylphosphanium;[[C-(4-tert-butylphenyl)-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-dimethylphosphanium;carbanide;pentakis(chromium(2+));[[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-bis(4-methoxyphenyl)phosphanium;[[N-(3,5-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-di(propan-2-yl)phosphanium
SMILESCOc1ccc([PH+](N/C(=N/c2c(C)cccc2C)c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc([PH+](N/C(Cc2ccc(C)cc2)=N/c2c(C)cc(C)cc2C)c2ccc(OC)cc2)cc1.Cc1cc(C)c(/N=C(/N[PH+](C)C)c2ccc(C(C)(C)C)cc2)c(C)c1.Cc1cc(C)cc(/N=C(/N[PH+](C(C)C)C(C)C)c2ccccc2)c1.Cc1ccc(C/C(=N\c2c(C)cc(C)cc2C)N[PH+](c2ccccc2)C(C)(C)C)cc1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Cr+2].[Cr+2].[Cr+2].[Cr+2].[Cr+2]
InChIInChI=1S/C32H35N2O2P.C29H29N2O2P.C28H35N2P.C22H31N2P.C21H29N2P.10CH3.5Cr/c1-22-7-9-26(10-8-22)21-31(33-32-24(3)19-23(2)20-25(32)4)34-37(29-15-11-27(35-5)12-16-29)30-17-13-28(36-6)14-18-30;1-21-9-8-10-22(2)28(21)30-29(23-11-6-5-7-12-23)31-34(26-17-13-24(32-3)14-18-26)27-19-15-25(33-4)16-20-27;1-20-13-15-24(16-14-20)19-26(29-27-22(3)17-21(2)18-23(27)4)30-31(28(5,6)7)25-11-9-8-10-12-25;1-15-13-16(2)20(17(3)14-15)23-21(24-25(7)8)18-9-11-19(12-10-18)22(4,5)6;1-15(2)24(16(3)4)23-21(19-10-8-7-9-11-19)22-20-13-17(5)12-18(6)14-20;;;;;;;;;;;;;;;/h7-20H,21H2,1-6H3,(H,33,34);5-20H,1-4H3,(H,30,31);8-18H,19H2,1-7H3,(H,29,30);9-14H,1-8H3,(H,23,24);7-16H,1-6H3,(H,22,23);10*1H3;;;;;/q;;;;;10*-1;5*+2/p+5
InChIKeyHBRJXMXTOSAIPS-UHFFFAOYSA-S
MW2520.03 g/mol
LogP35.76
Rot. Bonds28

About bis(4-methoxyphenyl)-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]phosphanium;tert-butyl-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-phenylphosphanium;[[C-(4-tert-butylphenyl)-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-dimethylphosphanium;carbanide;pentakis(chromium(2+));[[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-bis(4-methoxyphenyl)phosphanium;[[N-(3,5-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-di(propan-2-yl)phosphanium

bis(4-methoxyphenyl)-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]phosphanium;tert-butyl-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-phenylphosphanium;[[C-(4-tert-butylphenyl)-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-dimethylphosphanium;carbanide;pentakis(chromium(2+));[[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-bis(4-methoxyphenyl)phosphanium;[[N-(3,5-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-di(propan-2-yl)phosphanium (PubChem CID 159951137) has the molecular formula C142H194Cr5N10O4P5+5 and a molecular weight of 2520.03 g/mol. Its IUPAC name is bis(4-methoxyphenyl)-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]phosphanium;tert-butyl-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-phenylphosphanium;[[C-(4-tert-butylphenyl)-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-dimethylphosphanium;carbanide;pentakis(chromium(2+));[[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-bis(4-methoxyphenyl)phosphanium;[[N-(3,5-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-di(propan-2-yl)phosphanium.

Molecular Properties

Compound Namebis(4-methoxyphenyl)-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]phosphanium;tert-butyl-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-phenylphosphanium;[[C-(4-tert-butylphenyl)-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-dimethylphosphanium;carbanide;pentakis(chromium(2+));[[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-bis(4-methoxyphenyl)phosphanium;[[N-(3,5-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-di(propan-2-yl)phosphanium
PubChem CID159951137
Molecular FormulaC142H194Cr5N10O4P5+5
Molecular Weight2520.03 g/mol
Exact Mass2518.10
IUPAC Namebis(4-methoxyphenyl)-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]phosphanium;tert-butyl-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-phenylphosphanium;[[C-(4-tert-butylphenyl)-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-dimethylphosphanium;carbanide;pentakis(chromium(2+));[[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-bis(4-methoxyphenyl)phosphanium;[[N-(3,5-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-di(propan-2-yl)phosphanium
SMILESCOc1ccc([PH+](N/C(=N/c2c(C)cccc2C)c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc([PH+](N/C(Cc2ccc(C)cc2)=N/c2c(C)cc(C)cc2C)c2ccc(OC)cc2)cc1.Cc1cc(C)c(/N=C(/N[PH+](C)C)c2ccc(C(C)(C)C)cc2)c(C)c1.Cc1cc(C)cc(/N=C(/N[PH+](C(C)C)C(C)C)c2ccccc2)c1.Cc1ccc(C/C(=N\c2c(C)cc(C)cc2C)N[PH+](c2ccccc2)C(C)(C)C)cc1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Cr+2].[Cr+2].[Cr+2].[Cr+2].[Cr+2]
InChIInChI=1S/C32H35N2O2P.C29H29N2O2P.C28H35N2P.C22H31N2P.C21H29N2P.10CH3.5Cr/c1-22-7-9-26(10-8-22)21-31(33-32-24(3)19-23(2)20-25(32)4)34-37(29-15-11-27(35-5)12-16-29)30-17-13-28(36-6)14-18-30;1-21-9-8-10-22(2)28(21)30-29(23-11-6-5-7-12-23)31-34(26-17-13-24(32-3)14-18-26)27-19-15-25(33-4)16-20-27;1-20-13-15-24(16-14-20)19-26(29-27-22(3)17-21(2)18-23(27)4)30-31(28(5,6)7)25-11-9-8-10-12-25;1-15-13-16(2)20(17(3)14-15)23-21(24-25(7)8)18-9-11-19(12-10-18)22(4,5)6;1-15(2)24(16(3)4)23-21(19-10-8-7-9-11-19)22-20-13-17(5)12-18(6)14-20;;;;;;;;;;;;;;;/h7-20H,21H2,1-6H3,(H,33,34);5-20H,1-4H3,(H,30,31);8-18H,19H2,1-7H3,(H,29,30);9-14H,1-8H3,(H,23,24);7-16H,1-6H3,(H,22,23);10*1H3;;;;;/q;;;;;10*-1;5*+2/p+5
InChIKeyHBRJXMXTOSAIPS-UHFFFAOYSA-S
XLogP35.76
TPSA158.87 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds28
Heavy Atoms166
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002520.03
LogP ≤ 535.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis(4-methoxyphenyl)-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]phosphanium;tert-butyl-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-phenylphosphanium;[[C-(4-tert-butylphenyl)-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-dimethylphosphanium;carbanide;pentakis(chromium(2+));[[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-bis(4-methoxyphenyl)phosphanium;[[N-(3,5-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-di(propan-2-yl)phosphanium with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxyphenyl)-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]phosphanium;tert-butyl-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-phenylphosphanium;[[C-(4-tert-butylphenyl)-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-dimethylphosphanium;carbanide;pentakis(chromium(2+));[[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-bis(4-methoxyphenyl)phosphanium;[[N-(3,5-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-di(propan-2-yl)phosphanium?
The IUPAC name of bis(4-methoxyphenyl)-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]phosphanium;tert-butyl-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-phenylphosphanium;[[C-(4-tert-butylphenyl)-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-dimethylphosphanium;carbanide;pentakis(chromium(2+));[[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-bis(4-methoxyphenyl)phosphanium;[[N-(3,5-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-di(propan-2-yl)phosphanium (CID 159951137) is bis(4-methoxyphenyl)-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]phosphanium;tert-butyl-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-phenylphosphanium;[[C-(4-tert-butylphenyl)-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-dimethylphosphanium;carbanide;pentakis(chromium(2+));[[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-bis(4-methoxyphenyl)phosphanium;[[N-(3,5-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-di(propan-2-yl)phosphanium.
What is the SMILES notation for bis(4-methoxyphenyl)-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]phosphanium;tert-butyl-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-phenylphosphanium;[[C-(4-tert-butylphenyl)-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-dimethylphosphanium;carbanide;pentakis(chromium(2+));[[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-bis(4-methoxyphenyl)phosphanium;[[N-(3,5-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-di(propan-2-yl)phosphanium?
The canonical SMILES for bis(4-methoxyphenyl)-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]phosphanium;tert-butyl-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-phenylphosphanium;[[C-(4-tert-butylphenyl)-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-dimethylphosphanium;carbanide;pentakis(chromium(2+));[[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-bis(4-methoxyphenyl)phosphanium;[[N-(3,5-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-di(propan-2-yl)phosphanium is COc1ccc([PH+](N/C(=N/c2c(C)cccc2C)c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc([PH+](N/C(Cc2ccc(C)cc2)=N/c2c(C)cc(C)cc2C)c2ccc(OC)cc2)cc1.Cc1cc(C)c(/N=C(/N[PH+](C)C)c2ccc(C(C)(C)C)cc2)c(C)c1.Cc1cc(C)cc(/N=C(/N[PH+](C(C)C)C(C)C)c2ccccc2)c1.Cc1ccc(C/C(=N\c2c(C)cc(C)cc2C)N[PH+](c2ccccc2)C(C)(C)C)cc1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Cr+2].[Cr+2].[Cr+2].[Cr+2].[Cr+2].
What is the InChIKey of bis(4-methoxyphenyl)-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]phosphanium;tert-butyl-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-phenylphosphanium;[[C-(4-tert-butylphenyl)-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-dimethylphosphanium;carbanide;pentakis(chromium(2+));[[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-bis(4-methoxyphenyl)phosphanium;[[N-(3,5-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-di(propan-2-yl)phosphanium?
The InChIKey is HBRJXMXTOSAIPS-UHFFFAOYSA-S. The full InChI is InChI=1S/C32H35N2O2P.C29H29N2O2P.C28H35N2P.C22H31N2P.C21H29N2P.10CH3.5Cr/c1-22-7-9-26(10-8-22)21-31(33-32-24(3)19-23(2)20-25(32)4)34-37(29-15-11-27(35-5)12-16-29)30-17-13-28(36-6)14-18-30;1-21-9-8-10-22(2)28(21)30-29(23-11-6-5-7-12-23)31-34(26-17-13-24(32-3)14-18-26)27-19-15-25(33-4)16-20-27;1-20-13-15-24(16-14-20)19-26(29-27-22(3)17-21(2)18-23(27)4)30-31(28(5,6)7)25-11-9-8-10-12-25;1-15-13-16(2)20(17(3)14-15)23-21(24-25(7)8)18-9-11-19(12-10-18)22(4,5)6;1-15(2)24(16(3)4)23-21(19-10-8-7-9-11-19)22-20-13-17(5)12-18(6)14-20;;;;;;;;;;;;;;;/h7-20H,21H2,1-6H3,(H,33,34);5-20H,1-4H3,(H,30,31);8-18H,19H2,1-7H3,(H,29,30);9-14H,1-8H3,(H,23,24);7-16H,1-6H3,(H,22,23);10*1H3;;;;;/q;;;;;10*-1;5*+2/p+5.
What are the key properties of bis(4-methoxyphenyl)-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]phosphanium;tert-butyl-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-phenylphosphanium;[[C-(4-tert-butylphenyl)-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-dimethylphosphanium;carbanide;pentakis(chromium(2+));[[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-bis(4-methoxyphenyl)phosphanium;[[N-(3,5-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-di(propan-2-yl)phosphanium?
bis(4-methoxyphenyl)-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]phosphanium;tert-butyl-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-phenylphosphanium;[[C-(4-tert-butylphenyl)-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-dimethylphosphanium;carbanide;pentakis(chromium(2+));[[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-bis(4-methoxyphenyl)phosphanium;[[N-(3,5-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-di(propan-2-yl)phosphanium has a molecular weight of 2520.03 g/mol, XLogP of 35.76, 28 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxyphenyl)-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]phosphanium;tert-butyl-[[C-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-phenylphosphanium;[[C-(4-tert-butylphenyl)-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-dimethylphosphanium;carbanide;pentakis(chromium(2+));[[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-bis(4-methoxyphenyl)phosphanium;[[N-(3,5-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-di(propan-2-yl)phosphanium is sourced from PubChem (CID 159951137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).