(Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(4-naphthalen-1-ylphenyl)-1-phenylprop-2-ene-1,3-diimine

C55H40N2 — CID 176835136

About (Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(4-naphthalen-1-ylphenyl)-1-phenylprop-2-ene-1,3-diimine

(Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(4-naphthalen-1-ylphenyl)-1-phenylprop-2-ene-1,3-diimine (PubChem CID 176835136) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is (Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(4-naphthalen-1-ylphenyl)-1-phenylprop-2-ene-1,3-diimine.

Molecular Properties

• Compound Name: (Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(4-naphthalen-1-ylphenyl)-1-phenylprop-2-ene-1,3-diimine
• PubChem CID: 176835136
• Molecular Formula: C55H40N2
• Molecular Weight: 728.94 g/mol
• Exact Mass: 728.32
• IUPAC Name: (Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(4-naphthalen-1-ylphenyl)-1-phenylprop-2-ene-1,3-diimine
• SMILES: [H]/N=C(/C=C(\N=C\c1ccc(-c2cccc3c2C(C)(C)c2c-3ccc3ccccc23)c2ccccc12)c1ccc(-c2cccc3ccccc23)cc1)c1ccccc1
• InChI: InChI=1S/C55H40N2/c1-55(2)53-45-21-9-7-15-37(45)30-33-50(53)49-25-13-24-48(54(49)55)47-32-31-41(44-20-10-11-22-46(44)47)35-57-52(34-51(56)39-16-4-3-5-17-39)40-28-26-38(27-29-40)43-23-12-18-36-14-6-8-19-42(36)43/h3-35,56H,1-2H3/b52-34-,56-51-,57-35+
• InChIKey: UAPFXLNORUCVHI-FFMQQMLZSA-N
• XLogP: 14.31
• TPSA: 36.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	728.94
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	1
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)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(4-naphthalen-1-ylphenyl)-1-phenylprop-2-ene-1,3-diimine?

The IUPAC name of (Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(4-naphthalen-1-ylphenyl)-1-phenylprop-2-ene-1,3-diimine (CID 176835136) is (Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(4-naphthalen-1-ylphenyl)-1-phenylprop-2-ene-1,3-diimine.

What is the SMILES notation for (Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(4-naphthalen-1-ylphenyl)-1-phenylprop-2-ene-1,3-diimine?

The canonical SMILES for (Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(4-naphthalen-1-ylphenyl)-1-phenylprop-2-ene-1,3-diimine is [H]/N=C(/C=C(\N=C\c1ccc(-c2cccc3c2C(C)(C)c2c-3ccc3ccccc23)c2ccccc12)c1ccc(-c2cccc3ccccc23)cc1)c1ccccc1.

What is the InChIKey of (Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(4-naphthalen-1-ylphenyl)-1-phenylprop-2-ene-1,3-diimine?

The InChIKey is UAPFXLNORUCVHI-FFMQQMLZSA-N. The full InChI is InChI=1S/C55H40N2/c1-55(2)53-45-21-9-7-15-37(45)30-33-50(53)49-25-13-24-48(54(49)55)47-32-31-41(44-20-10-11-22-46(44)47)35-57-52(34-51(56)39-16-4-3-5-17-39)40-28-26-38(27-29-40)43-23-12-18-36-14-6-8-19-42(36)43/h3-35,56H,1-2H3/b52-34-,56-51-,57-35+.

What are the key properties of (Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(4-naphthalen-1-ylphenyl)-1-phenylprop-2-ene-1,3-diimine?

(Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(4-naphthalen-1-ylphenyl)-1-phenylprop-2-ene-1,3-diimine has a molecular weight of 728.94 g/mol, XLogP of 14.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(4-naphthalen-1-ylphenyl)-1-phenylprop-2-ene-1,3-diimine is sourced from PubChem (CID 176835136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).