(Z)-1,3-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-methyl-N'-methylideneprop-2-ene-1,3-diimine

C47H40N2 — CID 134350516

About (Z)-1,3-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-methyl-N'-methylideneprop-2-ene-1,3-diimine

(Z)-1,3-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-methyl-N'-methylideneprop-2-ene-1,3-diimine (PubChem CID 134350516) has the molecular formula C47H40N2 and a molecular weight of 632.85 g/mol. Its IUPAC name is (Z)-1,3-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-methyl-N'-methylideneprop-2-ene-1,3-diimine.

Molecular Properties

• Compound Name: (Z)-1,3-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-methyl-N'-methylideneprop-2-ene-1,3-diimine
• PubChem CID: 134350516
• Molecular Formula: C47H40N2
• Molecular Weight: 632.85 g/mol
• Exact Mass: 632.32
• IUPAC Name: (Z)-1,3-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-methyl-N'-methylideneprop-2-ene-1,3-diimine
• SMILES: C=N/C(=C\C(=N\C)c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1)c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
• InChI: InChI=1S/C47H40N2/c1-46(2)40-13-9-7-11-36(40)38-25-23-34(27-42(38)46)30-15-19-32(20-16-30)44(48-5)29-45(49-6)33-21-17-31(18-22-33)35-24-26-39-37-12-8-10-14-41(37)47(3,4)43(39)28-35/h7-29H,5H2,1-4,6H3/b44-29-,49-45-
• InChIKey: DXLLCRQZZVGHQZ-YHHFNQTKSA-N
• XLogP: 11.79
• TPSA: 24.72 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.85
LogP ≤ 5	11.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-1,3-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-methyl-N'-methylideneprop-2-ene-1,3-diimine?

The IUPAC name of (Z)-1,3-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-methyl-N'-methylideneprop-2-ene-1,3-diimine (CID 134350516) is (Z)-1,3-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-methyl-N'-methylideneprop-2-ene-1,3-diimine.

What is the SMILES notation for (Z)-1,3-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-methyl-N'-methylideneprop-2-ene-1,3-diimine?

The canonical SMILES for (Z)-1,3-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-methyl-N'-methylideneprop-2-ene-1,3-diimine is C=N/C(=C\C(=N\C)c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1)c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.

What is the InChIKey of (Z)-1,3-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-methyl-N'-methylideneprop-2-ene-1,3-diimine?

The InChIKey is DXLLCRQZZVGHQZ-YHHFNQTKSA-N. The full InChI is InChI=1S/C47H40N2/c1-46(2)40-13-9-7-11-36(40)38-25-23-34(27-42(38)46)30-15-19-32(20-16-30)44(48-5)29-45(49-6)33-21-17-31(18-22-33)35-24-26-39-37-12-8-10-14-41(37)47(3,4)43(39)28-35/h7-29H,5H2,1-4,6H3/b44-29-,49-45-.

What are the key properties of (Z)-1,3-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-methyl-N'-methylideneprop-2-ene-1,3-diimine?

(Z)-1,3-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-methyl-N'-methylideneprop-2-ene-1,3-diimine has a molecular weight of 632.85 g/mol, XLogP of 11.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1,3-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-methyl-N'-methylideneprop-2-ene-1,3-diimine is sourced from PubChem (CID 134350516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).