N,N-dimethyl-1-phenylmethanamine;dimethyl(phenylmethyl)phosphanium;(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-ylidene)oxidanium;bis(methyl-(2-methylazanidylphenyl)azanide);phenylbenzene;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);platinum;bis(platinum(2+));2-(3H-thiophen-3-id-2-yl)pyridine

C117H104F6N10O2PPt4S-9 — CID 158587129

IUPACN,N-dimethyl-1-phenylmethanamine;dimethyl(phenylmethyl)phosphanium;(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-ylidene)oxidanium;bis(methyl-(2-methylazanidylphenyl)azanide);phenylbenzene;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);platinum;bis(platinum(2+));2-(3H-thiophen-3-id-2-yl)pyridine
SMILESCN(C)Cc1[c-]cccc1.C[N-]c1ccccc1[N-]C.C[N-]c1ccccc1[N-]C.C[PH+](C)Cc1[c-]cccc1.[H]/[O+]=C(/C=C(O)C(F)(F)F)C(F)(F)F.[Pt+2].[Pt+2].[Pt].[Pt].[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1.[c-]1ccsc1-c1ccccn1
InChIInChI=1S/C12H10N.2C12H8.3C11H8N.C9H6NS.C9H12N.C9H12P.2C8H10N2.C5H2F6O2.4Pt/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;2*1-10(2)8-9-6-4-3-5-7-9;2*1-9-7-5-3-4-6-8(7)10-2;6-4(7,8)2(12)1-3(13)5(9,10)11;;;;/h1-6,8-9H,10H2;2*1-7,9H;3*1-6,8-9H;1-4,6-7H;2*3-6H,8H2,1-2H3;2*3-6H,1-2H3;1,12H;;;;/q-1;2*-2;6*-1;2*-2;;;;2*+2/p+2
InChIKeyHLIUMFWIYINBAS-UHFFFAOYSA-P
MW2639.53 g/mol
LogP30.65
Rot. Bonds17

About N,N-dimethyl-1-phenylmethanamine;dimethyl(phenylmethyl)phosphanium;(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-ylidene)oxidanium;bis(methyl-(2-methylazanidylphenyl)azanide);phenylbenzene;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);platinum;bis(platinum(2+));2-(3H-thiophen-3-id-2-yl)pyridine

N,N-dimethyl-1-phenylmethanamine;dimethyl(phenylmethyl)phosphanium;(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-ylidene)oxidanium;bis(methyl-(2-methylazanidylphenyl)azanide);phenylbenzene;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);platinum;bis(platinum(2+));2-(3H-thiophen-3-id-2-yl)pyridine (PubChem CID 158587129) has the molecular formula C117H104F6N10O2PPt4S-9 and a molecular weight of 2639.53 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylmethanamine;dimethyl(phenylmethyl)phosphanium;(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-ylidene)oxidanium;bis(methyl-(2-methylazanidylphenyl)azanide);phenylbenzene;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);platinum;bis(platinum(2+));2-(3H-thiophen-3-id-2-yl)pyridine.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylmethanamine;dimethyl(phenylmethyl)phosphanium;(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-ylidene)oxidanium;bis(methyl-(2-methylazanidylphenyl)azanide);phenylbenzene;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);platinum;bis(platinum(2+));2-(3H-thiophen-3-id-2-yl)pyridine
PubChem CID158587129
Molecular FormulaC117H104F6N10O2PPt4S-9
Molecular Weight2639.53 g/mol
Exact Mass2637.63
IUPAC NameN,N-dimethyl-1-phenylmethanamine;dimethyl(phenylmethyl)phosphanium;(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-ylidene)oxidanium;bis(methyl-(2-methylazanidylphenyl)azanide);phenylbenzene;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);platinum;bis(platinum(2+));2-(3H-thiophen-3-id-2-yl)pyridine
SMILESCN(C)Cc1[c-]cccc1.C[N-]c1ccccc1[N-]C.C[N-]c1ccccc1[N-]C.C[PH+](C)Cc1[c-]cccc1.[H]/[O+]=C(/C=C(O)C(F)(F)F)C(F)(F)F.[Pt+2].[Pt+2].[Pt].[Pt].[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1.[c-]1ccsc1-c1ccccn1
InChIInChI=1S/C12H10N.2C12H8.3C11H8N.C9H6NS.C9H12N.C9H12P.2C8H10N2.C5H2F6O2.4Pt/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;2*1-10(2)8-9-6-4-3-5-7-9;2*1-9-7-5-3-4-6-8(7)10-2;6-4(7,8)2(12)1-3(13)5(9,10)11;;;;/h1-6,8-9H,10H2;2*1-7,9H;3*1-6,8-9H;1-4,6-7H;2*3-6H,8H2,1-2H3;2*3-6H,1-2H3;1,12H;;;;/q-1;2*-2;6*-1;2*-2;;;;2*+2/p+2
InChIKeyHLIUMFWIYINBAS-UHFFFAOYSA-P
XLogP30.65
TPSA165.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms141
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002639.53
LogP ≤ 530.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylmethanamine;dimethyl(phenylmethyl)phosphanium;(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-ylidene)oxidanium;bis(methyl-(2-methylazanidylphenyl)azanide);phenylbenzene;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);platinum;bis(platinum(2+));2-(3H-thiophen-3-id-2-yl)pyridine?
The IUPAC name of N,N-dimethyl-1-phenylmethanamine;dimethyl(phenylmethyl)phosphanium;(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-ylidene)oxidanium;bis(methyl-(2-methylazanidylphenyl)azanide);phenylbenzene;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);platinum;bis(platinum(2+));2-(3H-thiophen-3-id-2-yl)pyridine (CID 158587129) is N,N-dimethyl-1-phenylmethanamine;dimethyl(phenylmethyl)phosphanium;(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-ylidene)oxidanium;bis(methyl-(2-methylazanidylphenyl)azanide);phenylbenzene;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);platinum;bis(platinum(2+));2-(3H-thiophen-3-id-2-yl)pyridine.
What is the SMILES notation for N,N-dimethyl-1-phenylmethanamine;dimethyl(phenylmethyl)phosphanium;(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-ylidene)oxidanium;bis(methyl-(2-methylazanidylphenyl)azanide);phenylbenzene;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);platinum;bis(platinum(2+));2-(3H-thiophen-3-id-2-yl)pyridine?
The canonical SMILES for N,N-dimethyl-1-phenylmethanamine;dimethyl(phenylmethyl)phosphanium;(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-ylidene)oxidanium;bis(methyl-(2-methylazanidylphenyl)azanide);phenylbenzene;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);platinum;bis(platinum(2+));2-(3H-thiophen-3-id-2-yl)pyridine is CN(C)Cc1[c-]cccc1.C[N-]c1ccccc1[N-]C.C[N-]c1ccccc1[N-]C.C[PH+](C)Cc1[c-]cccc1.[H]/[O+]=C(/C=C(O)C(F)(F)F)C(F)(F)F.[Pt+2].[Pt+2].[Pt].[Pt].[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1.[c-]1ccsc1-c1ccccn1.
What is the InChIKey of N,N-dimethyl-1-phenylmethanamine;dimethyl(phenylmethyl)phosphanium;(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-ylidene)oxidanium;bis(methyl-(2-methylazanidylphenyl)azanide);phenylbenzene;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);platinum;bis(platinum(2+));2-(3H-thiophen-3-id-2-yl)pyridine?
The InChIKey is HLIUMFWIYINBAS-UHFFFAOYSA-P. The full InChI is InChI=1S/C12H10N.2C12H8.3C11H8N.C9H6NS.C9H12N.C9H12P.2C8H10N2.C5H2F6O2.4Pt/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;2*1-10(2)8-9-6-4-3-5-7-9;2*1-9-7-5-3-4-6-8(7)10-2;6-4(7,8)2(12)1-3(13)5(9,10)11;;;;/h1-6,8-9H,10H2;2*1-7,9H;3*1-6,8-9H;1-4,6-7H;2*3-6H,8H2,1-2H3;2*3-6H,1-2H3;1,12H;;;;/q-1;2*-2;6*-1;2*-2;;;;2*+2/p+2.
What are the key properties of N,N-dimethyl-1-phenylmethanamine;dimethyl(phenylmethyl)phosphanium;(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-ylidene)oxidanium;bis(methyl-(2-methylazanidylphenyl)azanide);phenylbenzene;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);platinum;bis(platinum(2+));2-(3H-thiophen-3-id-2-yl)pyridine?
N,N-dimethyl-1-phenylmethanamine;dimethyl(phenylmethyl)phosphanium;(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-ylidene)oxidanium;bis(methyl-(2-methylazanidylphenyl)azanide);phenylbenzene;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);platinum;bis(platinum(2+));2-(3H-thiophen-3-id-2-yl)pyridine has a molecular weight of 2639.53 g/mol, XLogP of 30.65, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylmethanamine;dimethyl(phenylmethyl)phosphanium;(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-ylidene)oxidanium;bis(methyl-(2-methylazanidylphenyl)azanide);phenylbenzene;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);platinum;bis(platinum(2+));2-(3H-thiophen-3-id-2-yl)pyridine is sourced from PubChem (CID 158587129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).