ethane;1-methyl-3-phenylbenzene-2-ide;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium)

C37H57N7Y31-2 — CID 160647545

IUPACethane;1-methyl-3-phenylbenzene-2-ide;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium)
SMILESCC.CC.CC.CC.CC.Cc1[c-]c(-c2[c-]cccc2)ccc1.Cc1ccncn1.Cc1cncnc1.Cc1ncncn1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C13H10.2C5H6N2.C4H5N3.5C2H6.31Y/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-4-6-2-5-3-7-4;5*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-7,9H,1H3;2*2-4H,1H3;2-3H,1H3;5*1-2H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyRIRZMSUKFBXSQB-UHFFFAOYSA-N
MW3356.00 g/mol
LogP10.07
Rot. Bonds1

About ethane;1-methyl-3-phenylbenzene-2-ide;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium)

ethane;1-methyl-3-phenylbenzene-2-ide;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium) (PubChem CID 160647545) has the molecular formula C37H57N7Y31-2 and a molecular weight of 3356.00 g/mol. Its IUPAC name is ethane;1-methyl-3-phenylbenzene-2-ide;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium).

Molecular Properties

Compound Nameethane;1-methyl-3-phenylbenzene-2-ide;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium)
PubChem CID160647545
Molecular FormulaC37H57N7Y31-2
Molecular Weight3356.00 g/mol
Exact Mass3355.55
IUPAC Nameethane;1-methyl-3-phenylbenzene-2-ide;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium)
SMILESCC.CC.CC.CC.CC.Cc1[c-]c(-c2[c-]cccc2)ccc1.Cc1ccncn1.Cc1cncnc1.Cc1ncncn1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C13H10.2C5H6N2.C4H5N3.5C2H6.31Y/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-4-6-2-5-3-7-4;5*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-7,9H,1H3;2*2-4H,1H3;2-3H,1H3;5*1-2H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyRIRZMSUKFBXSQB-UHFFFAOYSA-N
XLogP10.07
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003356.00
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethane;1-methyl-3-phenylbenzene-2-ide;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Propyl-5-(4-propylpyrimidin-2-yl)-2-(4-propylpyrimidin-5-yl)pyrimidine
CID 58281688
4,5-Dimethyl-2-[[2-(pyrimidin-2-ylmethyl)pyrimidin-4-yl]methyl]pyrimidine
CID 129253024
Ethane;tris(4-methylpyrimidine)
CID 143707400
4-Methyl-2-(4-methylpyrimidin-5-yl)-5-pyrimidin-2-ylpyrimidine
CID 143934207
2,6-Dimethylpyrazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine
CID 144404917
4-Methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine
CID 145018415
2-Methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;propane
CID 157076945
Ethane;methane;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine
CID 157516166
Ethane;methane;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 157828150
2-Tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;methane
CID 158160172
2,5-dimethylpyrazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;2,4-dimethyl-3H-pyrrole
CID 158188680
2,4-Dimethylpyrimidine;bis(2,5-dimethylpyrimidine);bis(4,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methylpyrimidine;5-methylpyrimidine
CID 158805319

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-phenylbenzene-2-ide;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium)?
The IUPAC name of ethane;1-methyl-3-phenylbenzene-2-ide;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium) (CID 160647545) is ethane;1-methyl-3-phenylbenzene-2-ide;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium).
What is the SMILES notation for ethane;1-methyl-3-phenylbenzene-2-ide;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium)?
The canonical SMILES for ethane;1-methyl-3-phenylbenzene-2-ide;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium) is CC.CC.CC.CC.CC.Cc1[c-]c(-c2[c-]cccc2)ccc1.Cc1ccncn1.Cc1cncnc1.Cc1ncncn1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of ethane;1-methyl-3-phenylbenzene-2-ide;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium)?
The InChIKey is RIRZMSUKFBXSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.2C5H6N2.C4H5N3.5C2H6.31Y/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-4-6-2-5-3-7-4;5*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-7,9H,1H3;2*2-4H,1H3;2-3H,1H3;5*1-2H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of ethane;1-methyl-3-phenylbenzene-2-ide;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium)?
ethane;1-methyl-3-phenylbenzene-2-ide;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium) has a molecular weight of 3356.00 g/mol, XLogP of 10.07, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-phenylbenzene-2-ide;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium) is sourced from PubChem (CID 160647545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).