carbanide;N,N-diethyl-6-methylidene-9-phenylxanthen-3-amine;3-[[4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]sulfonylamino]propyl 2,2-dimethylbutanoate;3-(ethylamino)propyl 2,2-dimethylbutanoate;methanesulfonate;[4-[(4-methylphenyl)diazenyl]phenyl] 2,2-dimethylbutanoate;tungsten(2+)

C78H106N9O15S2W- — CID 162225791

IUPACcarbanide;N,N-diethyl-6-methylidene-9-phenylxanthen-3-amine;3-[[4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]sulfonylamino]propyl 2,2-dimethylbutanoate;3-(ethylamino)propyl 2,2-dimethylbutanoate;methanesulfonate;[4-[(4-methylphenyl)diazenyl]phenyl] 2,2-dimethylbutanoate;tungsten(2+)
SMILESC=c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C=2c1ccccc1.CCC(C)(C)C(=O)OCCCNS(=O)(=O)c1ccc(/N=N/C2C(=O)N(C)C(=O)N(C)C2=O)cc1.CCC(C)(C)C(=O)Oc1ccc(/N=N/c2ccc(C)cc2)cc1.CCNCCCOC(=O)C(C)(C)CC.CS(=O)(=O)[O-].[CH3-].[CH3-].[W+2]
InChIInChI=1S/C24H23NO.C21H29N5O7S.C19H22N2O2.C11H23NO2.CH4O3S.2CH3.W/c1-4-25(5-2)19-12-14-21-23(16-19)26-22-15-17(3)11-13-20(22)24(21)18-9-7-6-8-10-18;1-6-21(2,3)19(29)33-13-7-12-22-34(31,32)15-10-8-14(9-11-15)23-24-16-17(27)25(4)20(30)26(5)18(16)28;1-5-19(3,4)18(22)23-17-12-10-16(11-13-17)21-20-15-8-6-14(2)7-9-15;1-5-11(3,4)10(13)14-9-7-8-12-6-2;1-5(2,3)4;;;/h6-16H,3-5H2,1-2H3;8-11,16,22H,6-7,12-13H2,1-5H3;6-13H,5H2,1-4H3;12H,5-9H2,1-4H3;1H3,(H,2,3,4);2*1H3;/q;;;;;2*-1;+2/p-1/b;24-23+;21-20+;;;;;
InChIKeyUVRFEEMQLSVRAS-UAMPVLDUSA-M
MW1657.73 g/mol
LogP13.91
Rot. Bonds26

About carbanide;N,N-diethyl-6-methylidene-9-phenylxanthen-3-amine;3-[[4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]sulfonylamino]propyl 2,2-dimethylbutanoate;3-(ethylamino)propyl 2,2-dimethylbutanoate;methanesulfonate;[4-[(4-methylphenyl)diazenyl]phenyl] 2,2-dimethylbutanoate;tungsten(2+)

carbanide;N,N-diethyl-6-methylidene-9-phenylxanthen-3-amine;3-[[4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]sulfonylamino]propyl 2,2-dimethylbutanoate;3-(ethylamino)propyl 2,2-dimethylbutanoate;methanesulfonate;[4-[(4-methylphenyl)diazenyl]phenyl] 2,2-dimethylbutanoate;tungsten(2+) (PubChem CID 162225791) has the molecular formula C78H106N9O15S2W- and a molecular weight of 1657.73 g/mol. Its IUPAC name is carbanide;N,N-diethyl-6-methylidene-9-phenylxanthen-3-amine;3-[[4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]sulfonylamino]propyl 2,2-dimethylbutanoate;3-(ethylamino)propyl 2,2-dimethylbutanoate;methanesulfonate;[4-[(4-methylphenyl)diazenyl]phenyl] 2,2-dimethylbutanoate;tungsten(2+).

Molecular Properties

Compound Namecarbanide;N,N-diethyl-6-methylidene-9-phenylxanthen-3-amine;3-[[4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]sulfonylamino]propyl 2,2-dimethylbutanoate;3-(ethylamino)propyl 2,2-dimethylbutanoate;methanesulfonate;[4-[(4-methylphenyl)diazenyl]phenyl] 2,2-dimethylbutanoate;tungsten(2+)
PubChem CID162225791
Molecular FormulaC78H106N9O15S2W-
Molecular Weight1657.73 g/mol
Exact Mass1656.68
IUPAC Namecarbanide;N,N-diethyl-6-methylidene-9-phenylxanthen-3-amine;3-[[4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]sulfonylamino]propyl 2,2-dimethylbutanoate;3-(ethylamino)propyl 2,2-dimethylbutanoate;methanesulfonate;[4-[(4-methylphenyl)diazenyl]phenyl] 2,2-dimethylbutanoate;tungsten(2+)
SMILESC=c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C=2c1ccccc1.CCC(C)(C)C(=O)OCCCNS(=O)(=O)c1ccc(/N=N/C2C(=O)N(C)C(=O)N(C)C2=O)cc1.CCC(C)(C)C(=O)Oc1ccc(/N=N/c2ccc(C)cc2)cc1.CCNCCCOC(=O)C(C)(C)CC.CS(=O)(=O)[O-].[CH3-].[CH3-].[W+2]
InChIInChI=1S/C24H23NO.C21H29N5O7S.C19H22N2O2.C11H23NO2.CH4O3S.2CH3.W/c1-4-25(5-2)19-12-14-21-23(16-19)26-22-15-17(3)11-13-20(22)24(21)18-9-7-6-8-10-18;1-6-21(2,3)19(29)33-13-7-12-22-34(31,32)15-10-8-14(9-11-15)23-24-16-17(27)25(4)20(30)26(5)18(16)28;1-5-19(3,4)18(22)23-17-12-10-16(11-13-17)21-20-15-8-6-14(2)7-9-15;1-5-11(3,4)10(13)14-9-7-8-12-6-2;1-5(2,3)4;;;/h6-16H,3-5H2,1-2H3;8-11,16,22H,6-7,12-13H2,1-5H3;6-13H,5H2,1-4H3;12H,5-9H2,1-4H3;1H3,(H,2,3,4);2*1H3;/q;;;;;2*-1;+2/p-1/b;24-23+;21-20+;;;;;
InChIKeyUVRFEEMQLSVRAS-UAMPVLDUSA-M
XLogP13.91
TPSA313.90 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds26
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001657.73
LogP ≤ 513.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze carbanide;N,N-diethyl-6-methylidene-9-phenylxanthen-3-amine;3-[[4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]sulfonylamino]propyl 2,2-dimethylbutanoate;3-(ethylamino)propyl 2,2-dimethylbutanoate;methanesulfonate;[4-[(4-methylphenyl)diazenyl]phenyl] 2,2-dimethylbutanoate;tungsten(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;N,N-diethyl-6-methylidene-9-phenylxanthen-3-amine;3-[[4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]sulfonylamino]propyl 2,2-dimethylbutanoate;3-(ethylamino)propyl 2,2-dimethylbutanoate;methanesulfonate;[4-[(4-methylphenyl)diazenyl]phenyl] 2,2-dimethylbutanoate;tungsten(2+)?
The IUPAC name of carbanide;N,N-diethyl-6-methylidene-9-phenylxanthen-3-amine;3-[[4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]sulfonylamino]propyl 2,2-dimethylbutanoate;3-(ethylamino)propyl 2,2-dimethylbutanoate;methanesulfonate;[4-[(4-methylphenyl)diazenyl]phenyl] 2,2-dimethylbutanoate;tungsten(2+) (CID 162225791) is carbanide;N,N-diethyl-6-methylidene-9-phenylxanthen-3-amine;3-[[4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]sulfonylamino]propyl 2,2-dimethylbutanoate;3-(ethylamino)propyl 2,2-dimethylbutanoate;methanesulfonate;[4-[(4-methylphenyl)diazenyl]phenyl] 2,2-dimethylbutanoate;tungsten(2+).
What is the SMILES notation for carbanide;N,N-diethyl-6-methylidene-9-phenylxanthen-3-amine;3-[[4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]sulfonylamino]propyl 2,2-dimethylbutanoate;3-(ethylamino)propyl 2,2-dimethylbutanoate;methanesulfonate;[4-[(4-methylphenyl)diazenyl]phenyl] 2,2-dimethylbutanoate;tungsten(2+)?
The canonical SMILES for carbanide;N,N-diethyl-6-methylidene-9-phenylxanthen-3-amine;3-[[4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]sulfonylamino]propyl 2,2-dimethylbutanoate;3-(ethylamino)propyl 2,2-dimethylbutanoate;methanesulfonate;[4-[(4-methylphenyl)diazenyl]phenyl] 2,2-dimethylbutanoate;tungsten(2+) is C=c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C=2c1ccccc1.CCC(C)(C)C(=O)OCCCNS(=O)(=O)c1ccc(/N=N/C2C(=O)N(C)C(=O)N(C)C2=O)cc1.CCC(C)(C)C(=O)Oc1ccc(/N=N/c2ccc(C)cc2)cc1.CCNCCCOC(=O)C(C)(C)CC.CS(=O)(=O)[O-].[CH3-].[CH3-].[W+2].
What is the InChIKey of carbanide;N,N-diethyl-6-methylidene-9-phenylxanthen-3-amine;3-[[4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]sulfonylamino]propyl 2,2-dimethylbutanoate;3-(ethylamino)propyl 2,2-dimethylbutanoate;methanesulfonate;[4-[(4-methylphenyl)diazenyl]phenyl] 2,2-dimethylbutanoate;tungsten(2+)?
The InChIKey is UVRFEEMQLSVRAS-UAMPVLDUSA-M. The full InChI is InChI=1S/C24H23NO.C21H29N5O7S.C19H22N2O2.C11H23NO2.CH4O3S.2CH3.W/c1-4-25(5-2)19-12-14-21-23(16-19)26-22-15-17(3)11-13-20(22)24(21)18-9-7-6-8-10-18;1-6-21(2,3)19(29)33-13-7-12-22-34(31,32)15-10-8-14(9-11-15)23-24-16-17(27)25(4)20(30)26(5)18(16)28;1-5-19(3,4)18(22)23-17-12-10-16(11-13-17)21-20-15-8-6-14(2)7-9-15;1-5-11(3,4)10(13)14-9-7-8-12-6-2;1-5(2,3)4;;;/h6-16H,3-5H2,1-2H3;8-11,16,22H,6-7,12-13H2,1-5H3;6-13H,5H2,1-4H3;12H,5-9H2,1-4H3;1H3,(H,2,3,4);2*1H3;/q;;;;;2*-1;+2/p-1/b;24-23+;21-20+;;;;;.
What are the key properties of carbanide;N,N-diethyl-6-methylidene-9-phenylxanthen-3-amine;3-[[4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]sulfonylamino]propyl 2,2-dimethylbutanoate;3-(ethylamino)propyl 2,2-dimethylbutanoate;methanesulfonate;[4-[(4-methylphenyl)diazenyl]phenyl] 2,2-dimethylbutanoate;tungsten(2+)?
carbanide;N,N-diethyl-6-methylidene-9-phenylxanthen-3-amine;3-[[4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]sulfonylamino]propyl 2,2-dimethylbutanoate;3-(ethylamino)propyl 2,2-dimethylbutanoate;methanesulfonate;[4-[(4-methylphenyl)diazenyl]phenyl] 2,2-dimethylbutanoate;tungsten(2+) has a molecular weight of 1657.73 g/mol, XLogP of 13.91, 26 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;N,N-diethyl-6-methylidene-9-phenylxanthen-3-amine;3-[[4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]sulfonylamino]propyl 2,2-dimethylbutanoate;3-(ethylamino)propyl 2,2-dimethylbutanoate;methanesulfonate;[4-[(4-methylphenyl)diazenyl]phenyl] 2,2-dimethylbutanoate;tungsten(2+) is sourced from PubChem (CID 162225791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).