9,9-dimethyl-2-(4-methylphenyl)fluorene;2-(4-methylphenyl)dibenzofuran;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;9-(4-methylphenyl)phenanthrene;2-methylpyridine

C102H85NO — CID 157304486

About 9,9-dimethyl-2-(4-methylphenyl)fluorene;2-(4-methylphenyl)dibenzofuran;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;9-(4-methylphenyl)phenanthrene;2-methylpyridine

9,9-dimethyl-2-(4-methylphenyl)fluorene;2-(4-methylphenyl)dibenzofuran;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;9-(4-methylphenyl)phenanthrene;2-methylpyridine (PubChem CID 157304486) has the molecular formula C102H85NO and a molecular weight of 1340.81 g/mol. Its IUPAC name is 9,9-dimethyl-2-(4-methylphenyl)fluorene;2-(4-methylphenyl)dibenzofuran;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;9-(4-methylphenyl)phenanthrene;2-methylpyridine.

Molecular Properties

• Compound Name: 9,9-dimethyl-2-(4-methylphenyl)fluorene;2-(4-methylphenyl)dibenzofuran;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;9-(4-methylphenyl)phenanthrene;2-methylpyridine
• PubChem CID: 157304486
• Molecular Formula: C102H85NO
• Molecular Weight: 1340.81 g/mol
• Exact Mass: 1339.66
• IUPAC Name: 9,9-dimethyl-2-(4-methylphenyl)fluorene;2-(4-methylphenyl)dibenzofuran;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;9-(4-methylphenyl)phenanthrene;2-methylpyridine
• SMILES: Cc1ccc(-c2cc3ccccc3c3ccccc23)cc1.Cc1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.Cc1ccc(-c2ccc3ccccc3c2)cc1.Cc1ccc(-c2ccc3oc4ccccc4c3c2)cc1.Cc1ccc(-c2cccc3ccccc23)cc1.Cc1ccccn1
• InChI: InChI=1S/C22H20.C21H16.C19H14O.2C17H14.C6H7N/c1-15-8-10-16(11-9-15)17-12-13-19-18-6-4-5-7-20(18)22(2,3)21(19)14-17;1-15-10-12-16(13-11-15)21-14-17-6-2-3-7-18(17)19-8-4-5-9-20(19)21;1-13-6-8-14(9-7-13)15-10-11-19-17(12-15)16-4-2-3-5-18(16)20-19;1-13-9-11-15(12-10-13)17-8-4-6-14-5-2-3-7-16(14)17;1-13-6-8-15(9-7-13)17-11-10-14-4-2-3-5-16(14)12-17;1-6-4-2-3-5-7-6/h4-14H,1-3H3;2-14H,1H3;2-12H,1H3;2*2-12H,1H3;2-5H,1H3
• InChIKey: BCHHVLGKNPGRDG-UHFFFAOYSA-N
• XLogP: 28.52
• TPSA: 26.03 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1340.81
LogP ≤ 5	28.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-(4-methylphenyl)fluorene;2-(4-methylphenyl)dibenzofuran;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;9-(4-methylphenyl)phenanthrene;2-methylpyridine?

The IUPAC name of 9,9-dimethyl-2-(4-methylphenyl)fluorene;2-(4-methylphenyl)dibenzofuran;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;9-(4-methylphenyl)phenanthrene;2-methylpyridine (CID 157304486) is 9,9-dimethyl-2-(4-methylphenyl)fluorene;2-(4-methylphenyl)dibenzofuran;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;9-(4-methylphenyl)phenanthrene;2-methylpyridine.

What is the SMILES notation for 9,9-dimethyl-2-(4-methylphenyl)fluorene;2-(4-methylphenyl)dibenzofuran;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;9-(4-methylphenyl)phenanthrene;2-methylpyridine?

The canonical SMILES for 9,9-dimethyl-2-(4-methylphenyl)fluorene;2-(4-methylphenyl)dibenzofuran;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;9-(4-methylphenyl)phenanthrene;2-methylpyridine is Cc1ccc(-c2cc3ccccc3c3ccccc23)cc1.Cc1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.Cc1ccc(-c2ccc3ccccc3c2)cc1.Cc1ccc(-c2ccc3oc4ccccc4c3c2)cc1.Cc1ccc(-c2cccc3ccccc23)cc1.Cc1ccccn1.

What is the InChIKey of 9,9-dimethyl-2-(4-methylphenyl)fluorene;2-(4-methylphenyl)dibenzofuran;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;9-(4-methylphenyl)phenanthrene;2-methylpyridine?

The InChIKey is BCHHVLGKNPGRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20.C21H16.C19H14O.2C17H14.C6H7N/c1-15-8-10-16(11-9-15)17-12-13-19-18-6-4-5-7-20(18)22(2,3)21(19)14-17;1-15-10-12-16(13-11-15)21-14-17-6-2-3-7-18(17)19-8-4-5-9-20(19)21;1-13-6-8-14(9-7-13)15-10-11-19-17(12-15)16-4-2-3-5-18(16)20-19;1-13-9-11-15(12-10-13)17-8-4-6-14-5-2-3-7-16(14)17;1-13-6-8-15(9-7-13)17-11-10-14-4-2-3-5-16(14)12-17;1-6-4-2-3-5-7-6/h4-14H,1-3H3;2-14H,1H3;2-12H,1H3;2*2-12H,1H3;2-5H,1H3.

What are the key properties of 9,9-dimethyl-2-(4-methylphenyl)fluorene;2-(4-methylphenyl)dibenzofuran;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;9-(4-methylphenyl)phenanthrene;2-methylpyridine?

9,9-dimethyl-2-(4-methylphenyl)fluorene;2-(4-methylphenyl)dibenzofuran;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;9-(4-methylphenyl)phenanthrene;2-methylpyridine has a molecular weight of 1340.81 g/mol, XLogP of 28.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-2-(4-methylphenyl)fluorene;2-(4-methylphenyl)dibenzofuran;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;9-(4-methylphenyl)phenanthrene;2-methylpyridine is sourced from PubChem (CID 157304486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).