diphenyl 2-N,6-N-bis[2,6-di(propan-2-yl)phenyl]pyridine-2,6-dicarboximidate

C43H47N3O2 — CID 122378442

About diphenyl 2-N,6-N-bis[2,6-di(propan-2-yl)phenyl]pyridine-2,6-dicarboximidate

diphenyl 2-N,6-N-bis[2,6-di(propan-2-yl)phenyl]pyridine-2,6-dicarboximidate (PubChem CID 122378442) has the molecular formula C43H47N3O2 and a molecular weight of 637.87 g/mol. Its IUPAC name is diphenyl 2-N,6-N-bis[2,6-di(propan-2-yl)phenyl]pyridine-2,6-dicarboximidate.

Molecular Properties

• Compound Name: diphenyl 2-N,6-N-bis[2,6-di(propan-2-yl)phenyl]pyridine-2,6-dicarboximidate
• PubChem CID: 122378442
• Molecular Formula: C43H47N3O2
• Molecular Weight: 637.87 g/mol
• Exact Mass: 637.37
• IUPAC Name: diphenyl 2-N,6-N-bis[2,6-di(propan-2-yl)phenyl]pyridine-2,6-dicarboximidate
• SMILES: CC(C)c1cccc(C(C)C)c1/N=C(\Oc1ccccc1)c1cccc(/C(=N/c2c(C(C)C)cccc2C(C)C)Oc2ccccc2)n1
• InChI: InChI=1S/C43H47N3O2/c1-28(2)34-22-15-23-35(29(3)4)40(34)45-42(47-32-18-11-9-12-19-32)38-26-17-27-39(44-38)43(48-33-20-13-10-14-21-33)46-41-36(30(5)6)24-16-25-37(41)31(7)8/h9-31H,1-8H3/b45-42-,46-43-
• InChIKey: KUELHOCHPJFLSQ-OBBHHDKFSA-N
• XLogP: 11.89
• TPSA: 56.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.87
LogP ≤ 5	11.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of diphenyl 2-N,6-N-bis[2,6-di(propan-2-yl)phenyl]pyridine-2,6-dicarboximidate?

The IUPAC name of diphenyl 2-N,6-N-bis[2,6-di(propan-2-yl)phenyl]pyridine-2,6-dicarboximidate (CID 122378442) is diphenyl 2-N,6-N-bis[2,6-di(propan-2-yl)phenyl]pyridine-2,6-dicarboximidate.

What is the SMILES notation for diphenyl 2-N,6-N-bis[2,6-di(propan-2-yl)phenyl]pyridine-2,6-dicarboximidate?

The canonical SMILES for diphenyl 2-N,6-N-bis[2,6-di(propan-2-yl)phenyl]pyridine-2,6-dicarboximidate is CC(C)c1cccc(C(C)C)c1/N=C(\Oc1ccccc1)c1cccc(/C(=N/c2c(C(C)C)cccc2C(C)C)Oc2ccccc2)n1.

What is the InChIKey of diphenyl 2-N,6-N-bis[2,6-di(propan-2-yl)phenyl]pyridine-2,6-dicarboximidate?

The InChIKey is KUELHOCHPJFLSQ-OBBHHDKFSA-N. The full InChI is InChI=1S/C43H47N3O2/c1-28(2)34-22-15-23-35(29(3)4)40(34)45-42(47-32-18-11-9-12-19-32)38-26-17-27-39(44-38)43(48-33-20-13-10-14-21-33)46-41-36(30(5)6)24-16-25-37(41)31(7)8/h9-31H,1-8H3/b45-42-,46-43-.

What are the key properties of diphenyl 2-N,6-N-bis[2,6-di(propan-2-yl)phenyl]pyridine-2,6-dicarboximidate?

diphenyl 2-N,6-N-bis[2,6-di(propan-2-yl)phenyl]pyridine-2,6-dicarboximidate has a molecular weight of 637.87 g/mol, XLogP of 11.89, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl 2-N,6-N-bis[2,6-di(propan-2-yl)phenyl]pyridine-2,6-dicarboximidate is sourced from PubChem (CID 122378442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).