dimethyl(diphenyl)silane;tris(1,3-diphenylbenzene);2,4-diphenylpyridine;2,6-diphenylpyridine;3,5-diphenylpyridine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-phenylpropan-2-ylbenzene

C176H204N6Si — CID 159616287

IUPACdimethyl(diphenyl)silane;tris(1,3-diphenylbenzene);2,4-diphenylpyridine;2,6-diphenylpyridine;3,5-diphenylpyridine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-phenylpropan-2-ylbenzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.C[Si](C)(c1ccccc1)c1ccccc1.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)n2)cc1.c1ccc(-c2ccnc(-c3ccccc3)c2)cc1.c1ccc(-c2cncc(-c3ccccc3)c2)cc1
InChIInChI=1S/3C18H14.3C17H13N.C16H13N3.C15H16.C14H16Si.13C2H6/c3*1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;1-3-7-14(8-4-1)16-11-17(13-18-12-16)15-9-5-2-6-10-15;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;2*1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;13*1-2/h3*1-14H;3*1-13H;2-11H,1H3;2*3-12H,1-2H3;13*1-2H3
InChIKeyMNICSVHSTDFDLN-UHFFFAOYSA-N
MW2431.70 g/mol
LogP51.68
Rot. Bonds18

About dimethyl(diphenyl)silane;tris(1,3-diphenylbenzene);2,4-diphenylpyridine;2,6-diphenylpyridine;3,5-diphenylpyridine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-phenylpropan-2-ylbenzene

dimethyl(diphenyl)silane;tris(1,3-diphenylbenzene);2,4-diphenylpyridine;2,6-diphenylpyridine;3,5-diphenylpyridine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-phenylpropan-2-ylbenzene (PubChem CID 159616287) has the molecular formula C176H204N6Si and a molecular weight of 2431.70 g/mol. Its IUPAC name is dimethyl(diphenyl)silane;tris(1,3-diphenylbenzene);2,4-diphenylpyridine;2,6-diphenylpyridine;3,5-diphenylpyridine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-phenylpropan-2-ylbenzene.

Molecular Properties

Compound Namedimethyl(diphenyl)silane;tris(1,3-diphenylbenzene);2,4-diphenylpyridine;2,6-diphenylpyridine;3,5-diphenylpyridine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-phenylpropan-2-ylbenzene
PubChem CID159616287
Molecular FormulaC176H204N6Si
Molecular Weight2431.70 g/mol
Exact Mass2429.59
IUPAC Namedimethyl(diphenyl)silane;tris(1,3-diphenylbenzene);2,4-diphenylpyridine;2,6-diphenylpyridine;3,5-diphenylpyridine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-phenylpropan-2-ylbenzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.C[Si](C)(c1ccccc1)c1ccccc1.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)n2)cc1.c1ccc(-c2ccnc(-c3ccccc3)c2)cc1.c1ccc(-c2cncc(-c3ccccc3)c2)cc1
InChIInChI=1S/3C18H14.3C17H13N.C16H13N3.C15H16.C14H16Si.13C2H6/c3*1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;1-3-7-14(8-4-1)16-11-17(13-18-12-16)15-9-5-2-6-10-15;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;2*1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;13*1-2/h3*1-14H;3*1-13H;2-11H,1H3;2*3-12H,1-2H3;13*1-2H3
InChIKeyMNICSVHSTDFDLN-UHFFFAOYSA-N
XLogP51.68
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms183
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002431.70
LogP ≤ 551.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze dimethyl(diphenyl)silane;tris(1,3-diphenylbenzene);2,4-diphenylpyridine;2,6-diphenylpyridine;3,5-diphenylpyridine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-phenylpropan-2-ylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of dimethyl(diphenyl)silane;tris(1,3-diphenylbenzene);2,4-diphenylpyridine;2,6-diphenylpyridine;3,5-diphenylpyridine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-phenylpropan-2-ylbenzene?
The IUPAC name of dimethyl(diphenyl)silane;tris(1,3-diphenylbenzene);2,4-diphenylpyridine;2,6-diphenylpyridine;3,5-diphenylpyridine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-phenylpropan-2-ylbenzene (CID 159616287) is dimethyl(diphenyl)silane;tris(1,3-diphenylbenzene);2,4-diphenylpyridine;2,6-diphenylpyridine;3,5-diphenylpyridine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-phenylpropan-2-ylbenzene.
What is the SMILES notation for dimethyl(diphenyl)silane;tris(1,3-diphenylbenzene);2,4-diphenylpyridine;2,6-diphenylpyridine;3,5-diphenylpyridine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-phenylpropan-2-ylbenzene?
The canonical SMILES for dimethyl(diphenyl)silane;tris(1,3-diphenylbenzene);2,4-diphenylpyridine;2,6-diphenylpyridine;3,5-diphenylpyridine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-phenylpropan-2-ylbenzene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.C[Si](C)(c1ccccc1)c1ccccc1.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)n2)cc1.c1ccc(-c2ccnc(-c3ccccc3)c2)cc1.c1ccc(-c2cncc(-c3ccccc3)c2)cc1.
What is the InChIKey of dimethyl(diphenyl)silane;tris(1,3-diphenylbenzene);2,4-diphenylpyridine;2,6-diphenylpyridine;3,5-diphenylpyridine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-phenylpropan-2-ylbenzene?
The InChIKey is MNICSVHSTDFDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H14.3C17H13N.C16H13N3.C15H16.C14H16Si.13C2H6/c3*1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;1-3-7-14(8-4-1)16-11-17(13-18-12-16)15-9-5-2-6-10-15;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;2*1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;13*1-2/h3*1-14H;3*1-13H;2-11H,1H3;2*3-12H,1-2H3;13*1-2H3.
What are the key properties of dimethyl(diphenyl)silane;tris(1,3-diphenylbenzene);2,4-diphenylpyridine;2,6-diphenylpyridine;3,5-diphenylpyridine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-phenylpropan-2-ylbenzene?
dimethyl(diphenyl)silane;tris(1,3-diphenylbenzene);2,4-diphenylpyridine;2,6-diphenylpyridine;3,5-diphenylpyridine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-phenylpropan-2-ylbenzene has a molecular weight of 2431.70 g/mol, XLogP of 51.68, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(diphenyl)silane;tris(1,3-diphenylbenzene);2,4-diphenylpyridine;2,6-diphenylpyridine;3,5-diphenylpyridine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-phenylpropan-2-ylbenzene is sourced from PubChem (CID 159616287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).