bromomethane;carbanide;bis(N,N-dimethylmethanamine);pentakis(14,14-di(phenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene);methanamine;N-methylmethanamine;pentakis(tungsten(2+));bis(yttrium)

C168H144BrN5W5Y2-2 — CID 161042439

IUPACbromomethane;carbanide;bis(N,N-dimethylmethanamine);pentakis(14,14-di(phenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene);methanamine;N-methylmethanamine;pentakis(tungsten(2+));bis(yttrium)
SMILESCBr.CN.CN.CN(C)C.CN(C)C.CNC.[CH3-].[CH3-].[W+2].[W+2].[W+2].[W+2].[W+2].[Y].[Y].[c-]1ccccc1C1(c2[c-]cccc2)c2ccccc2-c2ccccc2-c2ccccc21.[c-]1ccccc1C1(c2[c-]cccc2)c2ccccc2-c2ccccc2-c2ccccc21.[c-]1ccccc1C1(c2[c-]cccc2)c2ccccc2-c2ccccc2-c2ccccc21.[c-]1ccccc1C1(c2[c-]cccc2)c2ccccc2-c2ccccc2-c2ccccc21.[c-]1ccccc1C1(c2[c-]cccc2)c2ccccc2-c2ccccc2-c2ccccc21
InChIInChI=1S/5C31H20.2C3H9N.C2H7N.CH3Br.2CH5N.2CH3.5W.2Y/c5*1-3-13-23(14-4-1)31(24-15-5-2-6-16-24)29-21-11-9-19-27(29)25-17-7-8-18-26(25)28-20-10-12-22-30(28)31;2*1-4(2)3;1-3-2;3*1-2;;;;;;;;;/h5*1-13,15,17-22H;2*1-3H3;3H,1-2H3;1H3;2*2H2,1H3;2*1H3;;;;;;;/q5*-2;;;;;;;2*-1;5*+2;;
InChIKeyQZARIZRUNFCZNJ-UHFFFAOYSA-N
MW3409.95 g/mol
LogP37.82
Rot. Bonds10

About bromomethane;carbanide;bis(N,N-dimethylmethanamine);pentakis(14,14-di(phenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene);methanamine;N-methylmethanamine;pentakis(tungsten(2+));bis(yttrium)

bromomethane;carbanide;bis(N,N-dimethylmethanamine);pentakis(14,14-di(phenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene);methanamine;N-methylmethanamine;pentakis(tungsten(2+));bis(yttrium) (PubChem CID 161042439) has the molecular formula C168H144BrN5W5Y2-2 and a molecular weight of 3409.95 g/mol. Its IUPAC name is bromomethane;carbanide;bis(N,N-dimethylmethanamine);pentakis(14,14-di(phenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene);methanamine;N-methylmethanamine;pentakis(tungsten(2+));bis(yttrium).

Molecular Properties

Compound Namebromomethane;carbanide;bis(N,N-dimethylmethanamine);pentakis(14,14-di(phenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene);methanamine;N-methylmethanamine;pentakis(tungsten(2+));bis(yttrium)
PubChem CID161042439
Molecular FormulaC168H144BrN5W5Y2-2
Molecular Weight3409.95 g/mol
Exact Mass3407.63
IUPAC Namebromomethane;carbanide;bis(N,N-dimethylmethanamine);pentakis(14,14-di(phenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene);methanamine;N-methylmethanamine;pentakis(tungsten(2+));bis(yttrium)
SMILESCBr.CN.CN.CN(C)C.CN(C)C.CNC.[CH3-].[CH3-].[W+2].[W+2].[W+2].[W+2].[W+2].[Y].[Y].[c-]1ccccc1C1(c2[c-]cccc2)c2ccccc2-c2ccccc2-c2ccccc21.[c-]1ccccc1C1(c2[c-]cccc2)c2ccccc2-c2ccccc2-c2ccccc21.[c-]1ccccc1C1(c2[c-]cccc2)c2ccccc2-c2ccccc2-c2ccccc21.[c-]1ccccc1C1(c2[c-]cccc2)c2ccccc2-c2ccccc2-c2ccccc21.[c-]1ccccc1C1(c2[c-]cccc2)c2ccccc2-c2ccccc2-c2ccccc21
InChIInChI=1S/5C31H20.2C3H9N.C2H7N.CH3Br.2CH5N.2CH3.5W.2Y/c5*1-3-13-23(14-4-1)31(24-15-5-2-6-16-24)29-21-11-9-19-27(29)25-17-7-8-18-26(25)28-20-10-12-22-30(28)31;2*1-4(2)3;1-3-2;3*1-2;;;;;;;;;/h5*1-13,15,17-22H;2*1-3H3;3H,1-2H3;1H3;2*2H2,1H3;2*1H3;;;;;;;/q5*-2;;;;;;;2*-1;5*+2;;
InChIKeyQZARIZRUNFCZNJ-UHFFFAOYSA-N
XLogP37.82
TPSA70.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms181
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003409.95
LogP ≤ 537.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze bromomethane;carbanide;bis(N,N-dimethylmethanamine);pentakis(14,14-di(phenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene);methanamine;N-methylmethanamine;pentakis(tungsten(2+));bis(yttrium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bromomethane;carbanide;bis(N,N-dimethylmethanamine);pentakis(14,14-di(phenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene);methanamine;N-methylmethanamine;pentakis(tungsten(2+));bis(yttrium)?
The IUPAC name of bromomethane;carbanide;bis(N,N-dimethylmethanamine);pentakis(14,14-di(phenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene);methanamine;N-methylmethanamine;pentakis(tungsten(2+));bis(yttrium) (CID 161042439) is bromomethane;carbanide;bis(N,N-dimethylmethanamine);pentakis(14,14-di(phenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene);methanamine;N-methylmethanamine;pentakis(tungsten(2+));bis(yttrium).
What is the SMILES notation for bromomethane;carbanide;bis(N,N-dimethylmethanamine);pentakis(14,14-di(phenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene);methanamine;N-methylmethanamine;pentakis(tungsten(2+));bis(yttrium)?
The canonical SMILES for bromomethane;carbanide;bis(N,N-dimethylmethanamine);pentakis(14,14-di(phenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene);methanamine;N-methylmethanamine;pentakis(tungsten(2+));bis(yttrium) is CBr.CN.CN.CN(C)C.CN(C)C.CNC.[CH3-].[CH3-].[W+2].[W+2].[W+2].[W+2].[W+2].[Y].[Y].[c-]1ccccc1C1(c2[c-]cccc2)c2ccccc2-c2ccccc2-c2ccccc21.[c-]1ccccc1C1(c2[c-]cccc2)c2ccccc2-c2ccccc2-c2ccccc21.[c-]1ccccc1C1(c2[c-]cccc2)c2ccccc2-c2ccccc2-c2ccccc21.[c-]1ccccc1C1(c2[c-]cccc2)c2ccccc2-c2ccccc2-c2ccccc21.[c-]1ccccc1C1(c2[c-]cccc2)c2ccccc2-c2ccccc2-c2ccccc21.
What is the InChIKey of bromomethane;carbanide;bis(N,N-dimethylmethanamine);pentakis(14,14-di(phenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene);methanamine;N-methylmethanamine;pentakis(tungsten(2+));bis(yttrium)?
The InChIKey is QZARIZRUNFCZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/5C31H20.2C3H9N.C2H7N.CH3Br.2CH5N.2CH3.5W.2Y/c5*1-3-13-23(14-4-1)31(24-15-5-2-6-16-24)29-21-11-9-19-27(29)25-17-7-8-18-26(25)28-20-10-12-22-30(28)31;2*1-4(2)3;1-3-2;3*1-2;;;;;;;;;/h5*1-13,15,17-22H;2*1-3H3;3H,1-2H3;1H3;2*2H2,1H3;2*1H3;;;;;;;/q5*-2;;;;;;;2*-1;5*+2;;.
What are the key properties of bromomethane;carbanide;bis(N,N-dimethylmethanamine);pentakis(14,14-di(phenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene);methanamine;N-methylmethanamine;pentakis(tungsten(2+));bis(yttrium)?
bromomethane;carbanide;bis(N,N-dimethylmethanamine);pentakis(14,14-di(phenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene);methanamine;N-methylmethanamine;pentakis(tungsten(2+));bis(yttrium) has a molecular weight of 3409.95 g/mol, XLogP of 37.82, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;carbanide;bis(N,N-dimethylmethanamine);pentakis(14,14-di(phenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene);methanamine;N-methylmethanamine;pentakis(tungsten(2+));bis(yttrium) is sourced from PubChem (CID 161042439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).