1-methylanthracene;9-methylanthracene;1-methyldibenzofuran;2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene

C131H104O4 — CID 159841875

About 1-methylanthracene;9-methylanthracene;1-methyldibenzofuran;2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene

1-methylanthracene;9-methylanthracene;1-methyldibenzofuran;2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene (PubChem CID 159841875) has the molecular formula C131H104O4 and a molecular weight of 1742.27 g/mol. Its IUPAC name is 1-methylanthracene;9-methylanthracene;1-methyldibenzofuran;2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene.

Molecular Properties

• Compound Name: 1-methylanthracene;9-methylanthracene;1-methyldibenzofuran;2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene
• PubChem CID: 159841875
• Molecular Formula: C131H104O4
• Molecular Weight: 1742.27 g/mol
• Exact Mass: 1740.79
• IUPAC Name: 1-methylanthracene;9-methylanthracene;1-methyldibenzofuran;2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene
• SMILES: Cc1c2ccccc2cc2ccccc12.Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1.Cc1cc2ccccc2c2ccccc12.Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2c(ccc3ccccc32)c1.Cc1ccc2oc3ccccc3c2c1.Cc1cccc2c1oc1ccccc12.Cc1cccc2cc3ccccc3cc12.Cc1cccc2oc3ccccc3c12
• InChI: InChI=1S/C19H16.4C15H12.4C13H10O/c1-15-12-18(16-8-4-2-5-9-16)14-19(13-15)17-10-6-3-7-11-17;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-11-5-4-8-14-9-12-6-2-3-7-13(12)10-15(11)14;1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-14H,1H3;4*2-10H,1H3;4*2-8H,1H3
• InChIKey: NOTYNEWKBMEMAZ-UHFFFAOYSA-N
• XLogP: 38.11
• TPSA: 52.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1742.27
LogP ≤ 5	38.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methylanthracene;9-methylanthracene;1-methyldibenzofuran;2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene?

The IUPAC name of 1-methylanthracene;9-methylanthracene;1-methyldibenzofuran;2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene (CID 159841875) is 1-methylanthracene;9-methylanthracene;1-methyldibenzofuran;2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene.

What is the SMILES notation for 1-methylanthracene;9-methylanthracene;1-methyldibenzofuran;2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene?

The canonical SMILES for 1-methylanthracene;9-methylanthracene;1-methyldibenzofuran;2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene is Cc1c2ccccc2cc2ccccc12.Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1.Cc1cc2ccccc2c2ccccc12.Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2c(ccc3ccccc32)c1.Cc1ccc2oc3ccccc3c2c1.Cc1cccc2c1oc1ccccc12.Cc1cccc2cc3ccccc3cc12.Cc1cccc2oc3ccccc3c12.

What is the InChIKey of 1-methylanthracene;9-methylanthracene;1-methyldibenzofuran;2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene?

The InChIKey is NOTYNEWKBMEMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16.4C15H12.4C13H10O/c1-15-12-18(16-8-4-2-5-9-16)14-19(13-15)17-10-6-3-7-11-17;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-11-5-4-8-14-9-12-6-2-3-7-13(12)10-15(11)14;1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-14H,1H3;4*2-10H,1H3;4*2-8H,1H3.

What are the key properties of 1-methylanthracene;9-methylanthracene;1-methyldibenzofuran;2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene?

1-methylanthracene;9-methylanthracene;1-methyldibenzofuran;2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene has a molecular weight of 1742.27 g/mol, XLogP of 38.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methylanthracene;9-methylanthracene;1-methyldibenzofuran;2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene is sourced from PubChem (CID 159841875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).