1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;3,5-dimethyl-1H-pyrazole;methylbenzene;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)benzene;tungsten(2+)

C97H104N6W — CID 157274679

IUPAC1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;3,5-dimethyl-1H-pyrazole;methylbenzene;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)benzene;tungsten(2+)
SMILESCc1cc(C)[nH]n1.Cc1cc(C)c(-c2c(C)cc(C)cc2C)c(C)c1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1ccc(-c2ccc(C)cn2)nc1.Cc1ccc(C)c2ccccc12.Cc1ccc2cc(C)ccc2c1.Cc1cccc2c(C)cccc12.Cc1ccnc(-c2cc(C)ccn2)c1.[W+2]
InChIInChI=1S/C18H22.2C12H12N2.3C12H12.2C7H7.C5H8N2.W/c1-11-7-13(3)17(14(4)8-11)18-15(5)9-12(2)10-16(18)6;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-7-8-10(2)12-6-4-3-5-11(9)12;2*1-7-5-3-2-4-6-7;1-4-3-5(2)7-6-4;/h7-10H,1-6H3;2*3-8H,1-2H3;3*3-8H,1-2H3;2*3-6H,1H3;3H,1-2H3,(H,6,7);/q;;;;;;2*-1;;+2
InChIKeyYDKUAHJGNFBVHB-UHFFFAOYSA-N
MW1537.78 g/mol
LogP25.71
Rot. Bonds3

About 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;3,5-dimethyl-1H-pyrazole;methylbenzene;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)benzene;tungsten(2+)

1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;3,5-dimethyl-1H-pyrazole;methylbenzene;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)benzene;tungsten(2+) (PubChem CID 157274679) has the molecular formula C97H104N6W and a molecular weight of 1537.78 g/mol. Its IUPAC name is 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;3,5-dimethyl-1H-pyrazole;methylbenzene;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)benzene;tungsten(2+).

Molecular Properties

Compound Name1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;3,5-dimethyl-1H-pyrazole;methylbenzene;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)benzene;tungsten(2+)
PubChem CID157274679
Molecular FormulaC97H104N6W
Molecular Weight1537.78 g/mol
Exact Mass1536.78
IUPAC Name1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;3,5-dimethyl-1H-pyrazole;methylbenzene;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)benzene;tungsten(2+)
SMILESCc1cc(C)[nH]n1.Cc1cc(C)c(-c2c(C)cc(C)cc2C)c(C)c1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1ccc(-c2ccc(C)cn2)nc1.Cc1ccc(C)c2ccccc12.Cc1ccc2cc(C)ccc2c1.Cc1cccc2c(C)cccc12.Cc1ccnc(-c2cc(C)ccn2)c1.[W+2]
InChIInChI=1S/C18H22.2C12H12N2.3C12H12.2C7H7.C5H8N2.W/c1-11-7-13(3)17(14(4)8-11)18-15(5)9-12(2)10-16(18)6;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-7-8-10(2)12-6-4-3-5-11(9)12;2*1-7-5-3-2-4-6-7;1-4-3-5(2)7-6-4;/h7-10H,1-6H3;2*3-8H,1-2H3;3*3-8H,1-2H3;2*3-6H,1H3;3H,1-2H3,(H,6,7);/q;;;;;;2*-1;;+2
InChIKeyYDKUAHJGNFBVHB-UHFFFAOYSA-N
XLogP25.71
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001537.78
LogP ≤ 525.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;3,5-dimethyl-1H-pyrazole;methylbenzene;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)benzene;tungsten(2+) with MolForge

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Related Compounds

2-(4-Isopropylphenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 11717091
2-[4-methylphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl pyridine
CID 9836405
4-[5-Methyl-3-(6-methyl-pyridin-2-yl)-1H-pyrazol-4-yl]-quinoline
CID 10040459
2-[3-methylphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 11716589
N,N-dimethyl-3-(3-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)phenyl)propan-1-amine
CID 45487458
2-phenyl-3-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]quinoxaline
CID 44450004
4-(5-(naphthalen-2-yl)-1H-pyrazol-4-yl)pyridine
CID 53469858
2-(2-methylphenyl)-4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]pyridine
CID 11594774
9-(4-(1H-pyrazol-5-yl)phenyl)-2,7-phenanthroline
CID 44444012
(1S,2S)-1-N-[[8-[[[(1S,2S)-2-[bis(pyridin-2-ylmethyl)amino]cyclohexyl]amino]methyl]anthracen-1-yl]methyl]-2-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 101496685
(1R,2R)-1-N-[[8-[[[(1R,2R)-2-[bis(pyridin-2-ylmethyl)amino]cyclohexyl]amino]methyl]anthracen-1-yl]methyl]-2-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 162651592
3-[(E)-2-naphthalen-2-ylethenyl]-6-pyridin-4-yl-1H-indazole
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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;3,5-dimethyl-1H-pyrazole;methylbenzene;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)benzene;tungsten(2+)?
The IUPAC name of 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;3,5-dimethyl-1H-pyrazole;methylbenzene;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)benzene;tungsten(2+) (CID 157274679) is 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;3,5-dimethyl-1H-pyrazole;methylbenzene;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)benzene;tungsten(2+).
What is the SMILES notation for 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;3,5-dimethyl-1H-pyrazole;methylbenzene;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)benzene;tungsten(2+)?
The canonical SMILES for 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;3,5-dimethyl-1H-pyrazole;methylbenzene;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)benzene;tungsten(2+) is Cc1cc(C)[nH]n1.Cc1cc(C)c(-c2c(C)cc(C)cc2C)c(C)c1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1ccc(-c2ccc(C)cn2)nc1.Cc1ccc(C)c2ccccc12.Cc1ccc2cc(C)ccc2c1.Cc1cccc2c(C)cccc12.Cc1ccnc(-c2cc(C)ccn2)c1.[W+2].
What is the InChIKey of 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;3,5-dimethyl-1H-pyrazole;methylbenzene;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)benzene;tungsten(2+)?
The InChIKey is YDKUAHJGNFBVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22.2C12H12N2.3C12H12.2C7H7.C5H8N2.W/c1-11-7-13(3)17(14(4)8-11)18-15(5)9-12(2)10-16(18)6;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-7-8-10(2)12-6-4-3-5-11(9)12;2*1-7-5-3-2-4-6-7;1-4-3-5(2)7-6-4;/h7-10H,1-6H3;2*3-8H,1-2H3;3*3-8H,1-2H3;2*3-6H,1H3;3H,1-2H3,(H,6,7);/q;;;;;;2*-1;;+2.
What are the key properties of 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;3,5-dimethyl-1H-pyrazole;methylbenzene;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)benzene;tungsten(2+)?
1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;3,5-dimethyl-1H-pyrazole;methylbenzene;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)benzene;tungsten(2+) has a molecular weight of 1537.78 g/mol, XLogP of 25.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;3,5-dimethyl-1H-pyrazole;methylbenzene;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)benzene;tungsten(2+) is sourced from PubChem (CID 157274679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).