3,7-dimethylacenaphthylene;2,6-dimethylacridine;2,6-dimethylanthracene;2,7-dimethyl-9H-fluorene;2,5-dimethylfuran;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,8-dimethyl-1,10-phenanthroline;2,7-dimethylphenazine;2,7-dimethylpyrene;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;2,7-dimethyltriphenylene;1-methyl-4-[(E)-prop-1-enyl]benzene;1-methyl-4-prop-1-ynylbenzene;1,4-xylene

C200H190N6OS — CID 158011677

About 3,7-dimethylacenaphthylene;2,6-dimethylacridine;2,6-dimethylanthracene;2,7-dimethyl-9H-fluorene;2,5-dimethylfuran;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,8-dimethyl-1,10-phenanthroline;2,7-dimethylphenazine;2,7-dimethylpyrene;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;2,7-dimethyltriphenylene;1-methyl-4-[(E)-prop-1-enyl]benzene;1-methyl-4-prop-1-ynylbenzene;1,4-xylene

3,7-dimethylacenaphthylene;2,6-dimethylacridine;2,6-dimethylanthracene;2,7-dimethyl-9H-fluorene;2,5-dimethylfuran;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,8-dimethyl-1,10-phenanthroline;2,7-dimethylphenazine;2,7-dimethylpyrene;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;2,7-dimethyltriphenylene;1-methyl-4-[(E)-prop-1-enyl]benzene;1-methyl-4-prop-1-ynylbenzene;1,4-xylene (PubChem CID 158011677) has the molecular formula C200H190N6OS and a molecular weight of 2725.83 g/mol. Its IUPAC name is 3,7-dimethylacenaphthylene;2,6-dimethylacridine;2,6-dimethylanthracene;2,7-dimethyl-9H-fluorene;2,5-dimethylfuran;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,8-dimethyl-1,10-phenanthroline;2,7-dimethylphenazine;2,7-dimethylpyrene;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;2,7-dimethyltriphenylene;1-methyl-4-[(E)-prop-1-enyl]benzene;1-methyl-4-prop-1-ynylbenzene;1,4-xylene.

Molecular Properties

• Compound Name: 3,7-dimethylacenaphthylene;2,6-dimethylacridine;2,6-dimethylanthracene;2,7-dimethyl-9H-fluorene;2,5-dimethylfuran;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,8-dimethyl-1,10-phenanthroline;2,7-dimethylphenazine;2,7-dimethylpyrene;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;2,7-dimethyltriphenylene;1-methyl-4-[(E)-prop-1-enyl]benzene;1-methyl-4-prop-1-ynylbenzene;1,4-xylene
• PubChem CID: 158011677
• Molecular Formula: C200H190N6OS
• Molecular Weight: 2725.83 g/mol
• Exact Mass: 2723.47
• IUPAC Name: 3,7-dimethylacenaphthylene;2,6-dimethylacridine;2,6-dimethylanthracene;2,7-dimethyl-9H-fluorene;2,5-dimethylfuran;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,8-dimethyl-1,10-phenanthroline;2,7-dimethylphenazine;2,7-dimethylpyrene;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;2,7-dimethyltriphenylene;1-methyl-4-[(E)-prop-1-enyl]benzene;1-methyl-4-prop-1-ynylbenzene;1,4-xylene
• SMILES: C/C=C/c1ccc(C)cc1.CC#Cc1ccc(C)cc1.Cc1cc2c3c(c(C)ccc3c1)C=C2.Cc1cc2ccc3cc(C)cc4ccc(c1)c2c34.Cc1ccc(C)[nH]1.Cc1ccc(C)cc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccc2c3ccc(C)cc3c3ccccc3c2c1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc3cc(C)ccc3cc2c1.Cc1ccc2nc3cc(C)ccc3cc2c1.Cc1ccc2nc3cc(C)ccc3nc2c1.Cc1cnc2c(ccc3cc(C)cnc32)c1
• InChI: InChI=1S/C20H16.C18H14.2C16H14.C15H13N.C15H14.2C14H12N2.C14H12.C12H12.C10H12.C10H10.C8H10.C6H9N.C6H8O.C6H8S/c1-13-7-9-17-18-10-8-14(2)12-20(18)16-6-4-3-5-15(16)19(17)11-13;1-11-7-13-3-5-15-9-12(2)10-16-6-4-14(8-11)17(13)18(15)16;1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;1-11-3-5-13-10-16-8-12(2)4-6-14(16)9-15(13)7-11;1-10-4-6-14-13(7-10)9-12-5-3-11(2)8-15(12)16-14;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;1-9-3-5-11-13(7-9)15-12-6-4-10(2)8-14(12)16-11;1-9-5-11-3-4-12-6-10(2)8-16-14(12)13(11)15-7-9;1-9-7-11-4-3-10(2)13-6-5-12(8-9)14(11)13;1-9-3-5-12-8-10(2)4-6-11(12)7-9;2*1-3-4-10-7-5-9(2)6-8-10;1-7-3-5-8(2)6-4-7;3*1-5-3-4-6(2)7-5/h3-12H,1-2H3;3-10H,1-2H3;2*3-10H,1-2H3;3-9H,1-2H3;3-8H,9H2,1-2H3;2*3-8H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;5-8H,1-2H3;3-6H,1-2H3;3-4,7H,1-2H3;2*3-4H,1-2H3/b;;;;;;;;;;4-3+
• InChIKey: FEYQIMHDNIXCHL-DJZZDBNFSA-N
• XLogP: 55.85
• TPSA: 93.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 1
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2725.83
LogP ≤ 5	55.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylacenaphthylene;2,6-dimethylacridine;2,6-dimethylanthracene;2,7-dimethyl-9H-fluorene;2,5-dimethylfuran;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,8-dimethyl-1,10-phenanthroline;2,7-dimethylphenazine;2,7-dimethylpyrene;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;2,7-dimethyltriphenylene;1-methyl-4-[(E)-prop-1-enyl]benzene;1-methyl-4-prop-1-ynylbenzene;1,4-xylene?

The IUPAC name of 3,7-dimethylacenaphthylene;2,6-dimethylacridine;2,6-dimethylanthracene;2,7-dimethyl-9H-fluorene;2,5-dimethylfuran;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,8-dimethyl-1,10-phenanthroline;2,7-dimethylphenazine;2,7-dimethylpyrene;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;2,7-dimethyltriphenylene;1-methyl-4-[(E)-prop-1-enyl]benzene;1-methyl-4-prop-1-ynylbenzene;1,4-xylene (CID 158011677) is 3,7-dimethylacenaphthylene;2,6-dimethylacridine;2,6-dimethylanthracene;2,7-dimethyl-9H-fluorene;2,5-dimethylfuran;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,8-dimethyl-1,10-phenanthroline;2,7-dimethylphenazine;2,7-dimethylpyrene;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;2,7-dimethyltriphenylene;1-methyl-4-[(E)-prop-1-enyl]benzene;1-methyl-4-prop-1-ynylbenzene;1,4-xylene.

What is the SMILES notation for 3,7-dimethylacenaphthylene;2,6-dimethylacridine;2,6-dimethylanthracene;2,7-dimethyl-9H-fluorene;2,5-dimethylfuran;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,8-dimethyl-1,10-phenanthroline;2,7-dimethylphenazine;2,7-dimethylpyrene;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;2,7-dimethyltriphenylene;1-methyl-4-[(E)-prop-1-enyl]benzene;1-methyl-4-prop-1-ynylbenzene;1,4-xylene?

The canonical SMILES for 3,7-dimethylacenaphthylene;2,6-dimethylacridine;2,6-dimethylanthracene;2,7-dimethyl-9H-fluorene;2,5-dimethylfuran;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,8-dimethyl-1,10-phenanthroline;2,7-dimethylphenazine;2,7-dimethylpyrene;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;2,7-dimethyltriphenylene;1-methyl-4-[(E)-prop-1-enyl]benzene;1-methyl-4-prop-1-ynylbenzene;1,4-xylene is C/C=C/c1ccc(C)cc1.CC#Cc1ccc(C)cc1.Cc1cc2c3c(c(C)ccc3c1)C=C2.Cc1cc2ccc3cc(C)cc4ccc(c1)c2c34.Cc1ccc(C)[nH]1.Cc1ccc(C)cc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccc2c3ccc(C)cc3c3ccccc3c2c1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc3cc(C)ccc3cc2c1.Cc1ccc2nc3cc(C)ccc3cc2c1.Cc1ccc2nc3cc(C)ccc3nc2c1.Cc1cnc2c(ccc3cc(C)cnc32)c1.

What is the InChIKey of 3,7-dimethylacenaphthylene;2,6-dimethylacridine;2,6-dimethylanthracene;2,7-dimethyl-9H-fluorene;2,5-dimethylfuran;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,8-dimethyl-1,10-phenanthroline;2,7-dimethylphenazine;2,7-dimethylpyrene;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;2,7-dimethyltriphenylene;1-methyl-4-[(E)-prop-1-enyl]benzene;1-methyl-4-prop-1-ynylbenzene;1,4-xylene?

The InChIKey is FEYQIMHDNIXCHL-DJZZDBNFSA-N. The full InChI is InChI=1S/C20H16.C18H14.2C16H14.C15H13N.C15H14.2C14H12N2.C14H12.C12H12.C10H12.C10H10.C8H10.C6H9N.C6H8O.C6H8S/c1-13-7-9-17-18-10-8-14(2)12-20(18)16-6-4-3-5-15(16)19(17)11-13;1-11-7-13-3-5-15-9-12(2)10-16-6-4-14(8-11)17(13)18(15)16;1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;1-11-3-5-13-10-16-8-12(2)4-6-14(16)9-15(13)7-11;1-10-4-6-14-13(7-10)9-12-5-3-11(2)8-15(12)16-14;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;1-9-3-5-11-13(7-9)15-12-6-4-10(2)8-14(12)16-11;1-9-5-11-3-4-12-6-10(2)8-16-14(12)13(11)15-7-9;1-9-7-11-4-3-10(2)13-6-5-12(8-9)14(11)13;1-9-3-5-12-8-10(2)4-6-11(12)7-9;2*1-3-4-10-7-5-9(2)6-8-10;1-7-3-5-8(2)6-4-7;3*1-5-3-4-6(2)7-5/h3-12H,1-2H3;3-10H,1-2H3;2*3-10H,1-2H3;3-9H,1-2H3;3-8H,9H2,1-2H3;2*3-8H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;5-8H,1-2H3;3-6H,1-2H3;3-4,7H,1-2H3;2*3-4H,1-2H3/b;;;;;;;;;;4-3+;;;;;.

What are the key properties of 3,7-dimethylacenaphthylene;2,6-dimethylacridine;2,6-dimethylanthracene;2,7-dimethyl-9H-fluorene;2,5-dimethylfuran;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,8-dimethyl-1,10-phenanthroline;2,7-dimethylphenazine;2,7-dimethylpyrene;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;2,7-dimethyltriphenylene;1-methyl-4-[(E)-prop-1-enyl]benzene;1-methyl-4-prop-1-ynylbenzene;1,4-xylene?

3,7-dimethylacenaphthylene;2,6-dimethylacridine;2,6-dimethylanthracene;2,7-dimethyl-9H-fluorene;2,5-dimethylfuran;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,8-dimethyl-1,10-phenanthroline;2,7-dimethylphenazine;2,7-dimethylpyrene;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;2,7-dimethyltriphenylene;1-methyl-4-[(E)-prop-1-enyl]benzene;1-methyl-4-prop-1-ynylbenzene;1,4-xylene has a molecular weight of 2725.83 g/mol, XLogP of 55.85, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,7-dimethylacenaphthylene;2,6-dimethylacridine;2,6-dimethylanthracene;2,7-dimethyl-9H-fluorene;2,5-dimethylfuran;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,8-dimethyl-1,10-phenanthroline;2,7-dimethylphenazine;2,7-dimethylpyrene;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;2,7-dimethyltriphenylene;1-methyl-4-[(E)-prop-1-enyl]benzene;1-methyl-4-prop-1-ynylbenzene;1,4-xylene is sourced from PubChem (CID 158011677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).