1,3-dimethyl-2,7-phenanthroline;1,8-dimethyl-2,7-phenanthroline;3,8-dimethyl-2,7-phenanthroline;bis(1-methyl-2,8-phenanthroline);3-methyl-2,7-phenanthroline;8-methyl-2,7-phenanthroline;heptakis(2-methylpropane)

C122H146N14 — CID 160807594

About 1,3-dimethyl-2,7-phenanthroline;1,8-dimethyl-2,7-phenanthroline;3,8-dimethyl-2,7-phenanthroline;bis(1-methyl-2,8-phenanthroline);3-methyl-2,7-phenanthroline;8-methyl-2,7-phenanthroline;heptakis(2-methylpropane)

1,3-dimethyl-2,7-phenanthroline;1,8-dimethyl-2,7-phenanthroline;3,8-dimethyl-2,7-phenanthroline;bis(1-methyl-2,8-phenanthroline);3-methyl-2,7-phenanthroline;8-methyl-2,7-phenanthroline;heptakis(2-methylpropane) (PubChem CID 160807594) has the molecular formula C122H146N14 and a molecular weight of 1808.61 g/mol. Its IUPAC name is 1,3-dimethyl-2,7-phenanthroline;1,8-dimethyl-2,7-phenanthroline;3,8-dimethyl-2,7-phenanthroline;bis(1-methyl-2,8-phenanthroline);3-methyl-2,7-phenanthroline;8-methyl-2,7-phenanthroline;heptakis(2-methylpropane).

Molecular Properties

• Compound Name: 1,3-dimethyl-2,7-phenanthroline;1,8-dimethyl-2,7-phenanthroline;3,8-dimethyl-2,7-phenanthroline;bis(1-methyl-2,8-phenanthroline);3-methyl-2,7-phenanthroline;8-methyl-2,7-phenanthroline;heptakis(2-methylpropane)
• PubChem CID: 160807594
• Molecular Formula: C122H146N14
• Molecular Weight: 1808.61 g/mol
• Exact Mass: 1807.19
• IUPAC Name: 1,3-dimethyl-2,7-phenanthroline;1,8-dimethyl-2,7-phenanthroline;3,8-dimethyl-2,7-phenanthroline;bis(1-methyl-2,8-phenanthroline);3-methyl-2,7-phenanthroline;8-methyl-2,7-phenanthroline;heptakis(2-methylpropane)
• SMILES: CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1cc2ccc3nc(C)ccc3c2cn1.Cc1cc2ccc3ncccc3c2c(C)n1.Cc1cc2ccc3ncccc3c2cn1.Cc1ccc2c(ccc3ccnc(C)c32)n1.Cc1ccc2c(ccc3ccncc32)n1.Cc1nccc2ccc3cnccc3c12.Cc1nccc2ccc3cnccc3c12
• InChI: InChI=1S/3C14H12N2.4C13H10N2.7C4H10/c1-9-3-5-12-13-8-15-10(2)7-11(13)4-6-14(12)16-9;1-9-3-5-12-13(16-9)6-4-11-7-8-15-10(2)14(11)12;1-9-8-11-5-6-13-12(4-3-7-15-13)14(11)10(2)16-9;1-9-2-4-11-12-8-14-7-6-10(12)3-5-13(11)15-9;2*1-9-13-10(4-7-15-9)2-3-11-8-14-6-5-12(11)13;1-9-7-10-4-5-13-11(3-2-6-14-13)12(10)8-15-9;7*1-4(2)3/h3*3-8H,1-2H3;4*2-8H,1H3;7*4H,1-3H3
• InChIKey: SDWWZHXEVPOSKP-UHFFFAOYSA-N
• XLogP: 34.20
• TPSA: 180.46 Ų
• H-Bond Acceptors: 14
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1808.61
LogP ≤ 5	34.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,7-phenanthroline;1,8-dimethyl-2,7-phenanthroline;3,8-dimethyl-2,7-phenanthroline;bis(1-methyl-2,8-phenanthroline);3-methyl-2,7-phenanthroline;8-methyl-2,7-phenanthroline;heptakis(2-methylpropane)?

The IUPAC name of 1,3-dimethyl-2,7-phenanthroline;1,8-dimethyl-2,7-phenanthroline;3,8-dimethyl-2,7-phenanthroline;bis(1-methyl-2,8-phenanthroline);3-methyl-2,7-phenanthroline;8-methyl-2,7-phenanthroline;heptakis(2-methylpropane) (CID 160807594) is 1,3-dimethyl-2,7-phenanthroline;1,8-dimethyl-2,7-phenanthroline;3,8-dimethyl-2,7-phenanthroline;bis(1-methyl-2,8-phenanthroline);3-methyl-2,7-phenanthroline;8-methyl-2,7-phenanthroline;heptakis(2-methylpropane).

What is the SMILES notation for 1,3-dimethyl-2,7-phenanthroline;1,8-dimethyl-2,7-phenanthroline;3,8-dimethyl-2,7-phenanthroline;bis(1-methyl-2,8-phenanthroline);3-methyl-2,7-phenanthroline;8-methyl-2,7-phenanthroline;heptakis(2-methylpropane)?

The canonical SMILES for 1,3-dimethyl-2,7-phenanthroline;1,8-dimethyl-2,7-phenanthroline;3,8-dimethyl-2,7-phenanthroline;bis(1-methyl-2,8-phenanthroline);3-methyl-2,7-phenanthroline;8-methyl-2,7-phenanthroline;heptakis(2-methylpropane) is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1cc2ccc3nc(C)ccc3c2cn1.Cc1cc2ccc3ncccc3c2c(C)n1.Cc1cc2ccc3ncccc3c2cn1.Cc1ccc2c(ccc3ccnc(C)c32)n1.Cc1ccc2c(ccc3ccncc32)n1.Cc1nccc2ccc3cnccc3c12.Cc1nccc2ccc3cnccc3c12.

What is the InChIKey of 1,3-dimethyl-2,7-phenanthroline;1,8-dimethyl-2,7-phenanthroline;3,8-dimethyl-2,7-phenanthroline;bis(1-methyl-2,8-phenanthroline);3-methyl-2,7-phenanthroline;8-methyl-2,7-phenanthroline;heptakis(2-methylpropane)?

The InChIKey is SDWWZHXEVPOSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H12N2.4C13H10N2.7C4H10/c1-9-3-5-12-13-8-15-10(2)7-11(13)4-6-14(12)16-9;1-9-3-5-12-13(16-9)6-4-11-7-8-15-10(2)14(11)12;1-9-8-11-5-6-13-12(4-3-7-15-13)14(11)10(2)16-9;1-9-2-4-11-12-8-14-7-6-10(12)3-5-13(11)15-9;2*1-9-13-10(4-7-15-9)2-3-11-8-14-6-5-12(11)13;1-9-7-10-4-5-13-11(3-2-6-14-13)12(10)8-15-9;7*1-4(2)3/h3*3-8H,1-2H3;4*2-8H,1H3;7*4H,1-3H3.

What are the key properties of 1,3-dimethyl-2,7-phenanthroline;1,8-dimethyl-2,7-phenanthroline;3,8-dimethyl-2,7-phenanthroline;bis(1-methyl-2,8-phenanthroline);3-methyl-2,7-phenanthroline;8-methyl-2,7-phenanthroline;heptakis(2-methylpropane)?

1,3-dimethyl-2,7-phenanthroline;1,8-dimethyl-2,7-phenanthroline;3,8-dimethyl-2,7-phenanthroline;bis(1-methyl-2,8-phenanthroline);3-methyl-2,7-phenanthroline;8-methyl-2,7-phenanthroline;heptakis(2-methylpropane) has a molecular weight of 1808.61 g/mol, XLogP of 34.20, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-2,7-phenanthroline;1,8-dimethyl-2,7-phenanthroline;3,8-dimethyl-2,7-phenanthroline;bis(1-methyl-2,8-phenanthroline);3-methyl-2,7-phenanthroline;8-methyl-2,7-phenanthroline;heptakis(2-methylpropane) is sourced from PubChem (CID 160807594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).