methane;2-methyl-4,6-diphenyl-1,3,5-triazine;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylpyrazine;2-methyl-6-phenylpyridine;4-methyl-2-phenylpyridine;4-methyl-2-phenylpyrimidine;3-methyl-4-phenylquinoline;2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);2-methylquinoline;3-methylquinoline;toluene

C210H213N19 — CID 162096265

IUPACmethane;2-methyl-4,6-diphenyl-1,3,5-triazine;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylpyrazine;2-methyl-6-phenylpyridine;4-methyl-2-phenylpyridine;4-methyl-2-phenylpyrimidine;3-methyl-4-phenylquinoline;2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);2-methylquinoline;3-methylquinoline;toluene
SMILESC.C.C.C.Cc1cc2ccccc2cn1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2ccccc2c1.Cc1ccc2ccccc2n1.Cc1cccc(-c2ccccc2)c1.Cc1cccc(-c2ccccc2)n1.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1ccnc(-c2ccccc2)c1.Cc1ccnc(-c2ccccc2)n1.Cc1ccncc1.Cc1ccncc1.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2c1-c1ccccc1.Cc1cncc(-c2ccccc2)n1.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H13N3.C16H13N.2C13H12.2C12H11N.2C11H10N2.2C11H10.3C10H9N.2C7H8.6C6H7N.4CH4/c1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;1-12-11-17-15-10-6-5-9-14(15)16(12)13-7-3-2-4-8-13;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-9-7-12-8-11(13-9)10-5-3-2-4-6-10;1-9-7-8-12-11(13-9)10-5-3-2-4-6-10;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-9-4-2-3-5-10(9)11-8;2*1-7-5-3-2-4-6-7;2*1-6-2-4-7-5-3-6;3*1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;;;;/h2-11H,1H3;2-11H,1H3;2*2-10H,1H3;2*2-9H,1H3;2*2-8H,1H3;2*2-8H,1H3;3*2-7H,1H3;2*2-6H,1H3;6*2-5H,1H3;4*1H4
InChIKeyZEHCDTVBTWHTLV-UHFFFAOYSA-N
MW3003.15 g/mol
LogP54.87
Rot. Bonds9

About methane;2-methyl-4,6-diphenyl-1,3,5-triazine;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylpyrazine;2-methyl-6-phenylpyridine;4-methyl-2-phenylpyridine;4-methyl-2-phenylpyrimidine;3-methyl-4-phenylquinoline;2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);2-methylquinoline;3-methylquinoline;toluene

methane;2-methyl-4,6-diphenyl-1,3,5-triazine;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylpyrazine;2-methyl-6-phenylpyridine;4-methyl-2-phenylpyridine;4-methyl-2-phenylpyrimidine;3-methyl-4-phenylquinoline;2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);2-methylquinoline;3-methylquinoline;toluene (PubChem CID 162096265) has the molecular formula C210H213N19 and a molecular weight of 3003.15 g/mol. Its IUPAC name is methane;2-methyl-4,6-diphenyl-1,3,5-triazine;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylpyrazine;2-methyl-6-phenylpyridine;4-methyl-2-phenylpyridine;4-methyl-2-phenylpyrimidine;3-methyl-4-phenylquinoline;2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);2-methylquinoline;3-methylquinoline;toluene.

Molecular Properties

Compound Namemethane;2-methyl-4,6-diphenyl-1,3,5-triazine;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylpyrazine;2-methyl-6-phenylpyridine;4-methyl-2-phenylpyridine;4-methyl-2-phenylpyrimidine;3-methyl-4-phenylquinoline;2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);2-methylquinoline;3-methylquinoline;toluene
PubChem CID162096265
Molecular FormulaC210H213N19
Molecular Weight3003.15 g/mol
Exact Mass3000.73
IUPAC Namemethane;2-methyl-4,6-diphenyl-1,3,5-triazine;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylpyrazine;2-methyl-6-phenylpyridine;4-methyl-2-phenylpyridine;4-methyl-2-phenylpyrimidine;3-methyl-4-phenylquinoline;2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);2-methylquinoline;3-methylquinoline;toluene
SMILESC.C.C.C.Cc1cc2ccccc2cn1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2ccccc2c1.Cc1ccc2ccccc2n1.Cc1cccc(-c2ccccc2)c1.Cc1cccc(-c2ccccc2)n1.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1ccnc(-c2ccccc2)c1.Cc1ccnc(-c2ccccc2)n1.Cc1ccncc1.Cc1ccncc1.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2c1-c1ccccc1.Cc1cncc(-c2ccccc2)n1.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H13N3.C16H13N.2C13H12.2C12H11N.2C11H10N2.2C11H10.3C10H9N.2C7H8.6C6H7N.4CH4/c1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;1-12-11-17-15-10-6-5-9-14(15)16(12)13-7-3-2-4-8-13;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-9-7-12-8-11(13-9)10-5-3-2-4-6-10;1-9-7-8-12-11(13-9)10-5-3-2-4-6-10;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-9-4-2-3-5-10(9)11-8;2*1-7-5-3-2-4-6-7;2*1-6-2-4-7-5-3-6;3*1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;;;;/h2-11H,1H3;2-11H,1H3;2*2-10H,1H3;2*2-9H,1H3;2*2-8H,1H3;2*2-8H,1H3;3*2-7H,1H3;2*2-6H,1H3;6*2-5H,1H3;4*1H4
InChIKeyZEHCDTVBTWHTLV-UHFFFAOYSA-N
XLogP54.87
TPSA244.91 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds9
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003003.15
LogP ≤ 554.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze methane;2-methyl-4,6-diphenyl-1,3,5-triazine;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylpyrazine;2-methyl-6-phenylpyridine;4-methyl-2-phenylpyridine;4-methyl-2-phenylpyrimidine;3-methyl-4-phenylquinoline;2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);2-methylquinoline;3-methylquinoline;toluene with MolForge

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Related Compounds

1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine
CID 161038141
ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline
CID 158322819
2-(9,9-dimethylfluoren-2-yl)-4-methyl-6-naphthalen-1-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-methyl-6-naphthalen-2-yl-1,3,5-triazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline
CID 159799811
1-fluoro-4-methylbenzene;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;trimethyl-(4-methylphenyl)silane
CID 159529298
1,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;bis(2-methyl-6-(3-methylphenyl)pyridine);5-methyl-2-(4-methylphenyl)pyrimidine;2-methyl-4-(5-methyl-3-pyridinyl)pyridine;2-methyl-6-(4-methyl-2-pyridinyl)pyridine;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine
CID 157411591
4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline)
CID 157141713
ethane;1-methylisoquinoline;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;2-methylquinoxaline
CID 157224388
2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;5-methylquinoline;bis(6-methylquinoline);bis(7-methylquinoline);8-methylquinoline;2-methyl-1,3,5-triazine;toluene
CID 160949105
2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-methyl-2-phenylpyridine;4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;5-methyl-2-phenylpyridine
CID 159426682
2-(4-methylphenyl)-5-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine;5-(4-methylphenyl)-2-phenylpyridine;2-(3-methylphenyl)pyrimidine;2-(4-methylphenyl)pyrimidine;5-(3-methylphenyl)pyrimidine;5-(4-methylphenyl)pyrimidine;5-(5-methyl-2-pyridinyl)pyrimidine;5-(5-methyl-3-pyridinyl)pyrimidine;5-(6-methyl-2-pyridinyl)pyrimidine;5-(6-methyl-3-pyridinyl)pyrimidine
CID 159369833
2-methyl-4,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;tris(2-methyl-1,3,5-triazine)
CID 158179452
1-methyl-3-phenylbenzene;2-methyl-5-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine
CID 159007156

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-4,6-diphenyl-1,3,5-triazine;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylpyrazine;2-methyl-6-phenylpyridine;4-methyl-2-phenylpyridine;4-methyl-2-phenylpyrimidine;3-methyl-4-phenylquinoline;2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);2-methylquinoline;3-methylquinoline;toluene?
The IUPAC name of methane;2-methyl-4,6-diphenyl-1,3,5-triazine;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylpyrazine;2-methyl-6-phenylpyridine;4-methyl-2-phenylpyridine;4-methyl-2-phenylpyrimidine;3-methyl-4-phenylquinoline;2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);2-methylquinoline;3-methylquinoline;toluene (CID 162096265) is methane;2-methyl-4,6-diphenyl-1,3,5-triazine;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylpyrazine;2-methyl-6-phenylpyridine;4-methyl-2-phenylpyridine;4-methyl-2-phenylpyrimidine;3-methyl-4-phenylquinoline;2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);2-methylquinoline;3-methylquinoline;toluene.
What is the SMILES notation for methane;2-methyl-4,6-diphenyl-1,3,5-triazine;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylpyrazine;2-methyl-6-phenylpyridine;4-methyl-2-phenylpyridine;4-methyl-2-phenylpyrimidine;3-methyl-4-phenylquinoline;2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);2-methylquinoline;3-methylquinoline;toluene?
The canonical SMILES for methane;2-methyl-4,6-diphenyl-1,3,5-triazine;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylpyrazine;2-methyl-6-phenylpyridine;4-methyl-2-phenylpyridine;4-methyl-2-phenylpyrimidine;3-methyl-4-phenylquinoline;2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);2-methylquinoline;3-methylquinoline;toluene is C.C.C.C.Cc1cc2ccccc2cn1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2ccccc2c1.Cc1ccc2ccccc2n1.Cc1cccc(-c2ccccc2)c1.Cc1cccc(-c2ccccc2)n1.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1ccnc(-c2ccccc2)c1.Cc1ccnc(-c2ccccc2)n1.Cc1ccncc1.Cc1ccncc1.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2c1-c1ccccc1.Cc1cncc(-c2ccccc2)n1.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of methane;2-methyl-4,6-diphenyl-1,3,5-triazine;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylpyrazine;2-methyl-6-phenylpyridine;4-methyl-2-phenylpyridine;4-methyl-2-phenylpyrimidine;3-methyl-4-phenylquinoline;2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);2-methylquinoline;3-methylquinoline;toluene?
The InChIKey is ZEHCDTVBTWHTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3.C16H13N.2C13H12.2C12H11N.2C11H10N2.2C11H10.3C10H9N.2C7H8.6C6H7N.4CH4/c1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;1-12-11-17-15-10-6-5-9-14(15)16(12)13-7-3-2-4-8-13;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-9-7-12-8-11(13-9)10-5-3-2-4-6-10;1-9-7-8-12-11(13-9)10-5-3-2-4-6-10;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-9-4-2-3-5-10(9)11-8;2*1-7-5-3-2-4-6-7;2*1-6-2-4-7-5-3-6;3*1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;;;;/h2-11H,1H3;2-11H,1H3;2*2-10H,1H3;2*2-9H,1H3;2*2-8H,1H3;2*2-8H,1H3;3*2-7H,1H3;2*2-6H,1H3;6*2-5H,1H3;4*1H4.
What are the key properties of methane;2-methyl-4,6-diphenyl-1,3,5-triazine;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylpyrazine;2-methyl-6-phenylpyridine;4-methyl-2-phenylpyridine;4-methyl-2-phenylpyrimidine;3-methyl-4-phenylquinoline;2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);2-methylquinoline;3-methylquinoline;toluene?
methane;2-methyl-4,6-diphenyl-1,3,5-triazine;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylpyrazine;2-methyl-6-phenylpyridine;4-methyl-2-phenylpyridine;4-methyl-2-phenylpyrimidine;3-methyl-4-phenylquinoline;2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);2-methylquinoline;3-methylquinoline;toluene has a molecular weight of 3003.15 g/mol, XLogP of 54.87, 9 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-4,6-diphenyl-1,3,5-triazine;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylpyrazine;2-methyl-6-phenylpyridine;4-methyl-2-phenylpyridine;4-methyl-2-phenylpyrimidine;3-methyl-4-phenylquinoline;2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);2-methylquinoline;3-methylquinoline;toluene is sourced from PubChem (CID 162096265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).