2-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-6-[2-[6-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-2-pyridinyl]propan-2-yl]pyridine

C43H48N4 — CID 140855636

About 2-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-6-[2-[6-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-2-pyridinyl]propan-2-yl]pyridine

2-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-6-[2-[6-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-2-pyridinyl]propan-2-yl]pyridine (PubChem CID 140855636) has the molecular formula C43H48N4 and a molecular weight of 620.89 g/mol. Its IUPAC name is 2-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-6-[2-[6-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-2-pyridinyl]propan-2-yl]pyridine.

Molecular Properties

• Compound Name: 2-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-6-[2-[6-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-2-pyridinyl]propan-2-yl]pyridine
• PubChem CID: 140855636
• Molecular Formula: C43H48N4
• Molecular Weight: 620.89 g/mol
• Exact Mass: 620.39
• IUPAC Name: 2-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-6-[2-[6-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-2-pyridinyl]propan-2-yl]pyridine
• SMILES: Cc1cc(-c2cccc(C(C)(C)c3cccc(-c4cc(C)c(C)n4-c4ccccc4C(C)C)n3)n2)n(-c2ccccc2C(C)C)c1C
• InChI: InChI=1S/C43H48N4/c1-27(2)33-17-11-13-21-37(33)46-31(7)29(5)25-39(46)35-19-15-23-41(44-35)43(9,10)42-24-16-20-36(45-42)40-26-30(6)32(8)47(40)38-22-14-12-18-34(38)28(3)4/h11-28H,1-10H3
• InChIKey: NSBYQICFXSHGKG-UHFFFAOYSA-N
• XLogP: 11.20
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.89
LogP ≤ 5	11.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-6-[2-[6-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-2-pyridinyl]propan-2-yl]pyridine?

The IUPAC name of 2-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-6-[2-[6-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-2-pyridinyl]propan-2-yl]pyridine (CID 140855636) is 2-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-6-[2-[6-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-2-pyridinyl]propan-2-yl]pyridine.

What is the SMILES notation for 2-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-6-[2-[6-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-2-pyridinyl]propan-2-yl]pyridine?

The canonical SMILES for 2-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-6-[2-[6-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-2-pyridinyl]propan-2-yl]pyridine is Cc1cc(-c2cccc(C(C)(C)c3cccc(-c4cc(C)c(C)n4-c4ccccc4C(C)C)n3)n2)n(-c2ccccc2C(C)C)c1C.

What is the InChIKey of 2-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-6-[2-[6-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-2-pyridinyl]propan-2-yl]pyridine?

The InChIKey is NSBYQICFXSHGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48N4/c1-27(2)33-17-11-13-21-37(33)46-31(7)29(5)25-39(46)35-19-15-23-41(44-35)43(9,10)42-24-16-20-36(45-42)40-26-30(6)32(8)47(40)38-22-14-12-18-34(38)28(3)4/h11-28H,1-10H3.

What are the key properties of 2-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-6-[2-[6-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-2-pyridinyl]propan-2-yl]pyridine?

2-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-6-[2-[6-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-2-pyridinyl]propan-2-yl]pyridine has a molecular weight of 620.89 g/mol, XLogP of 11.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-6-[2-[6-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-2-pyridinyl]propan-2-yl]pyridine is sourced from PubChem (CID 140855636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).