9,10-dimethylanthracene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2-methylfuran;2-methyl-6-(3-methylphenyl)naphthalene;bis(2-methyl-6-(4-methylphenyl)naphthalene);1-methyl-4-[(E)-2-phenylethenyl]benzene;2-methylpyrazine;2-methylpyridine;2-methyl-1H-pyrrole;2-methylthiophene;2,3,9-trimethylanthracene;9-(2,4,5-trimethylphenyl)anthracene;1,3-xylene;1,4-xylene

C191H188N4OS — CID 160692792

IUPAC9,10-dimethylanthracene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2-methylfuran;2-methyl-6-(3-methylphenyl)naphthalene;bis(2-methyl-6-(4-methylphenyl)naphthalene);1-methyl-4-[(E)-2-phenylethenyl]benzene;2-methylpyrazine;2-methylpyridine;2-methyl-1H-pyrrole;2-methylthiophene;2,3,9-trimethylanthracene;9-(2,4,5-trimethylphenyl)anthracene;1,3-xylene;1,4-xylene
SMILESCc1c2ccccc2c(C)c2ccccc12.Cc1cc(C)c(-c2c3ccccc3cc3ccccc23)cc1C.Cc1cc2cc3ccccc3c(C)c2cc1C.Cc1ccc(-c2ccc3cc(C)ccc3c2)cc1.Cc1ccc(-c2ccc3cc(C)ccc3c2)cc1.Cc1ccc(/C=C/c2ccccc2)cc1.Cc1ccc(C)cc1.Cc1ccc2cc(C)ccc2c1.Cc1ccc[nH]1.Cc1cccc(-c2ccc3cc(C)ccc3c2)c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12.Cc1ccccn1.Cc1ccco1.Cc1cccs1.Cc1cnccn1
InChIInChI=1S/C23H20.3C18H16.C17H16.C16H14.C15H14.2C12H12.2C8H10.C6H7N.C5H6N2.C5H7N.C5H6O.C5H6S/c1-15-12-17(3)22(13-16(15)2)23-20-10-6-4-8-18(20)14-19-9-5-7-11-21(19)23;2*1-13-3-6-15(7-4-13)17-10-9-16-11-14(2)5-8-18(16)12-17;1-13-4-3-5-15(10-13)18-9-8-16-11-14(2)6-7-17(16)12-18;1-11-8-15-10-14-6-4-5-7-16(14)13(3)17(15)9-12(11)2;1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14;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;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;3*1-5-3-2-4-6-5/h4-14H,1-3H3;3*3-12H,1-2H3;4-10H,1-3H3;3-10H,1-2H3;2-12H,1H3;2*3-8H,1-2H3;2*3-6H,1-2H3;2-5H,1H3;2-4H,1H3;2-4,6H,1H3;2*2-4H,1H3/b;;;;;;12-11+;;;;;;;;;
InChIKeyRPPUFRMBSSONPR-LRTICRMSSA-N
MW2587.70 g/mol
LogP54.31
Rot. Bonds6

About 9,10-dimethylanthracene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2-methylfuran;2-methyl-6-(3-methylphenyl)naphthalene;bis(2-methyl-6-(4-methylphenyl)naphthalene);1-methyl-4-[(E)-2-phenylethenyl]benzene;2-methylpyrazine;2-methylpyridine;2-methyl-1H-pyrrole;2-methylthiophene;2,3,9-trimethylanthracene;9-(2,4,5-trimethylphenyl)anthracene;1,3-xylene;1,4-xylene

9,10-dimethylanthracene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2-methylfuran;2-methyl-6-(3-methylphenyl)naphthalene;bis(2-methyl-6-(4-methylphenyl)naphthalene);1-methyl-4-[(E)-2-phenylethenyl]benzene;2-methylpyrazine;2-methylpyridine;2-methyl-1H-pyrrole;2-methylthiophene;2,3,9-trimethylanthracene;9-(2,4,5-trimethylphenyl)anthracene;1,3-xylene;1,4-xylene (PubChem CID 160692792) has the molecular formula C191H188N4OS and a molecular weight of 2587.70 g/mol. Its IUPAC name is 9,10-dimethylanthracene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2-methylfuran;2-methyl-6-(3-methylphenyl)naphthalene;bis(2-methyl-6-(4-methylphenyl)naphthalene);1-methyl-4-[(E)-2-phenylethenyl]benzene;2-methylpyrazine;2-methylpyridine;2-methyl-1H-pyrrole;2-methylthiophene;2,3,9-trimethylanthracene;9-(2,4,5-trimethylphenyl)anthracene;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Name9,10-dimethylanthracene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2-methylfuran;2-methyl-6-(3-methylphenyl)naphthalene;bis(2-methyl-6-(4-methylphenyl)naphthalene);1-methyl-4-[(E)-2-phenylethenyl]benzene;2-methylpyrazine;2-methylpyridine;2-methyl-1H-pyrrole;2-methylthiophene;2,3,9-trimethylanthracene;9-(2,4,5-trimethylphenyl)anthracene;1,3-xylene;1,4-xylene
PubChem CID160692792
Molecular FormulaC191H188N4OS
Molecular Weight2587.70 g/mol
Exact Mass2585.45
IUPAC Name9,10-dimethylanthracene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2-methylfuran;2-methyl-6-(3-methylphenyl)naphthalene;bis(2-methyl-6-(4-methylphenyl)naphthalene);1-methyl-4-[(E)-2-phenylethenyl]benzene;2-methylpyrazine;2-methylpyridine;2-methyl-1H-pyrrole;2-methylthiophene;2,3,9-trimethylanthracene;9-(2,4,5-trimethylphenyl)anthracene;1,3-xylene;1,4-xylene
SMILESCc1c2ccccc2c(C)c2ccccc12.Cc1cc(C)c(-c2c3ccccc3cc3ccccc23)cc1C.Cc1cc2cc3ccccc3c(C)c2cc1C.Cc1ccc(-c2ccc3cc(C)ccc3c2)cc1.Cc1ccc(-c2ccc3cc(C)ccc3c2)cc1.Cc1ccc(/C=C/c2ccccc2)cc1.Cc1ccc(C)cc1.Cc1ccc2cc(C)ccc2c1.Cc1ccc[nH]1.Cc1cccc(-c2ccc3cc(C)ccc3c2)c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12.Cc1ccccn1.Cc1ccco1.Cc1cccs1.Cc1cnccn1
InChIInChI=1S/C23H20.3C18H16.C17H16.C16H14.C15H14.2C12H12.2C8H10.C6H7N.C5H6N2.C5H7N.C5H6O.C5H6S/c1-15-12-17(3)22(13-16(15)2)23-20-10-6-4-8-18(20)14-19-9-5-7-11-21(19)23;2*1-13-3-6-15(7-4-13)17-10-9-16-11-14(2)5-8-18(16)12-17;1-13-4-3-5-15(10-13)18-9-8-16-11-14(2)6-7-17(16)12-18;1-11-8-15-10-14-6-4-5-7-16(14)13(3)17(15)9-12(11)2;1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14;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;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;3*1-5-3-2-4-6-5/h4-14H,1-3H3;3*3-12H,1-2H3;4-10H,1-3H3;3-10H,1-2H3;2-12H,1H3;2*3-8H,1-2H3;2*3-6H,1-2H3;2-5H,1H3;2-4H,1H3;2-4,6H,1H3;2*2-4H,1H3/b;;;;;;12-11+;;;;;;;;;
InChIKeyRPPUFRMBSSONPR-LRTICRMSSA-N
XLogP54.31
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms197
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002587.70
LogP ≤ 554.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 9,10-dimethylanthracene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2-methylfuran;2-methyl-6-(3-methylphenyl)naphthalene;bis(2-methyl-6-(4-methylphenyl)naphthalene);1-methyl-4-[(E)-2-phenylethenyl]benzene;2-methylpyrazine;2-methylpyridine;2-methyl-1H-pyrrole;2-methylthiophene;2,3,9-trimethylanthracene;9-(2,4,5-trimethylphenyl)anthracene;1,3-xylene;1,4-xylene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethylanthracene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2-methylfuran;2-methyl-6-(3-methylphenyl)naphthalene;bis(2-methyl-6-(4-methylphenyl)naphthalene);1-methyl-4-[(E)-2-phenylethenyl]benzene;2-methylpyrazine;2-methylpyridine;2-methyl-1H-pyrrole;2-methylthiophene;2,3,9-trimethylanthracene;9-(2,4,5-trimethylphenyl)anthracene;1,3-xylene;1,4-xylene?
The IUPAC name of 9,10-dimethylanthracene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2-methylfuran;2-methyl-6-(3-methylphenyl)naphthalene;bis(2-methyl-6-(4-methylphenyl)naphthalene);1-methyl-4-[(E)-2-phenylethenyl]benzene;2-methylpyrazine;2-methylpyridine;2-methyl-1H-pyrrole;2-methylthiophene;2,3,9-trimethylanthracene;9-(2,4,5-trimethylphenyl)anthracene;1,3-xylene;1,4-xylene (CID 160692792) is 9,10-dimethylanthracene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2-methylfuran;2-methyl-6-(3-methylphenyl)naphthalene;bis(2-methyl-6-(4-methylphenyl)naphthalene);1-methyl-4-[(E)-2-phenylethenyl]benzene;2-methylpyrazine;2-methylpyridine;2-methyl-1H-pyrrole;2-methylthiophene;2,3,9-trimethylanthracene;9-(2,4,5-trimethylphenyl)anthracene;1,3-xylene;1,4-xylene.
What is the SMILES notation for 9,10-dimethylanthracene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2-methylfuran;2-methyl-6-(3-methylphenyl)naphthalene;bis(2-methyl-6-(4-methylphenyl)naphthalene);1-methyl-4-[(E)-2-phenylethenyl]benzene;2-methylpyrazine;2-methylpyridine;2-methyl-1H-pyrrole;2-methylthiophene;2,3,9-trimethylanthracene;9-(2,4,5-trimethylphenyl)anthracene;1,3-xylene;1,4-xylene?
The canonical SMILES for 9,10-dimethylanthracene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2-methylfuran;2-methyl-6-(3-methylphenyl)naphthalene;bis(2-methyl-6-(4-methylphenyl)naphthalene);1-methyl-4-[(E)-2-phenylethenyl]benzene;2-methylpyrazine;2-methylpyridine;2-methyl-1H-pyrrole;2-methylthiophene;2,3,9-trimethylanthracene;9-(2,4,5-trimethylphenyl)anthracene;1,3-xylene;1,4-xylene is Cc1c2ccccc2c(C)c2ccccc12.Cc1cc(C)c(-c2c3ccccc3cc3ccccc23)cc1C.Cc1cc2cc3ccccc3c(C)c2cc1C.Cc1ccc(-c2ccc3cc(C)ccc3c2)cc1.Cc1ccc(-c2ccc3cc(C)ccc3c2)cc1.Cc1ccc(/C=C/c2ccccc2)cc1.Cc1ccc(C)cc1.Cc1ccc2cc(C)ccc2c1.Cc1ccc[nH]1.Cc1cccc(-c2ccc3cc(C)ccc3c2)c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12.Cc1ccccn1.Cc1ccco1.Cc1cccs1.Cc1cnccn1.
What is the InChIKey of 9,10-dimethylanthracene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2-methylfuran;2-methyl-6-(3-methylphenyl)naphthalene;bis(2-methyl-6-(4-methylphenyl)naphthalene);1-methyl-4-[(E)-2-phenylethenyl]benzene;2-methylpyrazine;2-methylpyridine;2-methyl-1H-pyrrole;2-methylthiophene;2,3,9-trimethylanthracene;9-(2,4,5-trimethylphenyl)anthracene;1,3-xylene;1,4-xylene?
The InChIKey is RPPUFRMBSSONPR-LRTICRMSSA-N. The full InChI is InChI=1S/C23H20.3C18H16.C17H16.C16H14.C15H14.2C12H12.2C8H10.C6H7N.C5H6N2.C5H7N.C5H6O.C5H6S/c1-15-12-17(3)22(13-16(15)2)23-20-10-6-4-8-18(20)14-19-9-5-7-11-21(19)23;2*1-13-3-6-15(7-4-13)17-10-9-16-11-14(2)5-8-18(16)12-17;1-13-4-3-5-15(10-13)18-9-8-16-11-14(2)6-7-17(16)12-18;1-11-8-15-10-14-6-4-5-7-16(14)13(3)17(15)9-12(11)2;1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14;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;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;3*1-5-3-2-4-6-5/h4-14H,1-3H3;3*3-12H,1-2H3;4-10H,1-3H3;3-10H,1-2H3;2-12H,1H3;2*3-8H,1-2H3;2*3-6H,1-2H3;2-5H,1H3;2-4H,1H3;2-4,6H,1H3;2*2-4H,1H3/b;;;;;;12-11+;;;;;;;;;.
What are the key properties of 9,10-dimethylanthracene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2-methylfuran;2-methyl-6-(3-methylphenyl)naphthalene;bis(2-methyl-6-(4-methylphenyl)naphthalene);1-methyl-4-[(E)-2-phenylethenyl]benzene;2-methylpyrazine;2-methylpyridine;2-methyl-1H-pyrrole;2-methylthiophene;2,3,9-trimethylanthracene;9-(2,4,5-trimethylphenyl)anthracene;1,3-xylene;1,4-xylene?
9,10-dimethylanthracene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2-methylfuran;2-methyl-6-(3-methylphenyl)naphthalene;bis(2-methyl-6-(4-methylphenyl)naphthalene);1-methyl-4-[(E)-2-phenylethenyl]benzene;2-methylpyrazine;2-methylpyridine;2-methyl-1H-pyrrole;2-methylthiophene;2,3,9-trimethylanthracene;9-(2,4,5-trimethylphenyl)anthracene;1,3-xylene;1,4-xylene has a molecular weight of 2587.70 g/mol, XLogP of 54.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethylanthracene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2-methylfuran;2-methyl-6-(3-methylphenyl)naphthalene;bis(2-methyl-6-(4-methylphenyl)naphthalene);1-methyl-4-[(E)-2-phenylethenyl]benzene;2-methylpyrazine;2-methylpyridine;2-methyl-1H-pyrrole;2-methylthiophene;2,3,9-trimethylanthracene;9-(2,4,5-trimethylphenyl)anthracene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 160692792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).