N'-[(Z)-1-[4-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]naphthalen-1-yl]-3-phenylprop-1-enyl]benzenecarboximidamide

C61H44N2 — CID 176835262

About N'-[(Z)-1-[4-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]naphthalen-1-yl]-3-phenylprop-1-enyl]benzenecarboximidamide

N'-[(Z)-1-[4-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]naphthalen-1-yl]-3-phenylprop-1-enyl]benzenecarboximidamide (PubChem CID 176835262) has the molecular formula C61H44N2 and a molecular weight of 805.04 g/mol. Its IUPAC name is N'-[(Z)-1-[4-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]naphthalen-1-yl]-3-phenylprop-1-enyl]benzenecarboximidamide.

Molecular Properties

• Compound Name: N'-[(Z)-1-[4-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]naphthalen-1-yl]-3-phenylprop-1-enyl]benzenecarboximidamide
• PubChem CID: 176835262
• Molecular Formula: C61H44N2
• Molecular Weight: 805.04 g/mol
• Exact Mass: 804.35
• IUPAC Name: N'-[(Z)-1-[4-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]naphthalen-1-yl]-3-phenylprop-1-enyl]benzenecarboximidamide
• SMILES: N/C(=N\C(=C/Cc1ccccc1)c1ccc(-c2cccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4ccc4ccccc34)c2)c2ccccc12)c1ccccc1
• InChI: InChI=1S/C61H44N2/c62-60(44-21-7-2-8-22-44)63-58(39-32-42-18-5-1-6-19-42)55-38-37-50(52-30-15-16-31-53(52)55)47-24-17-23-45(40-47)46-34-35-54-56-36-33-43-20-13-14-29-51(43)59(56)61(57(54)41-46,48-25-9-3-10-26-48)49-27-11-4-12-28-49/h1-31,33-41H,32H2,(H2,62,63)/b58-39-
• InChIKey: QFWROPLXQAWISC-YXOFPDQGSA-N
• XLogP: 14.68
• TPSA: 38.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.04
LogP ≤ 5	14.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

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 N'-[(Z)-1-[4-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]naphthalen-1-yl]-3-phenylprop-1-enyl]benzenecarboximidamide?

The IUPAC name of N'-[(Z)-1-[4-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]naphthalen-1-yl]-3-phenylprop-1-enyl]benzenecarboximidamide (CID 176835262) is N'-[(Z)-1-[4-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]naphthalen-1-yl]-3-phenylprop-1-enyl]benzenecarboximidamide.

What is the SMILES notation for N'-[(Z)-1-[4-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]naphthalen-1-yl]-3-phenylprop-1-enyl]benzenecarboximidamide?

The canonical SMILES for N'-[(Z)-1-[4-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]naphthalen-1-yl]-3-phenylprop-1-enyl]benzenecarboximidamide is N/C(=N\C(=C/Cc1ccccc1)c1ccc(-c2cccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4ccc4ccccc34)c2)c2ccccc12)c1ccccc1.

What is the InChIKey of N'-[(Z)-1-[4-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]naphthalen-1-yl]-3-phenylprop-1-enyl]benzenecarboximidamide?

The InChIKey is QFWROPLXQAWISC-YXOFPDQGSA-N. The full InChI is InChI=1S/C61H44N2/c62-60(44-21-7-2-8-22-44)63-58(39-32-42-18-5-1-6-19-42)55-38-37-50(52-30-15-16-31-53(52)55)47-24-17-23-45(40-47)46-34-35-54-56-36-33-43-20-13-14-29-51(43)59(56)61(57(54)41-46,48-25-9-3-10-26-48)49-27-11-4-12-28-49/h1-31,33-41H,32H2,(H2,62,63)/b58-39-.

What are the key properties of N'-[(Z)-1-[4-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]naphthalen-1-yl]-3-phenylprop-1-enyl]benzenecarboximidamide?

N'-[(Z)-1-[4-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]naphthalen-1-yl]-3-phenylprop-1-enyl]benzenecarboximidamide has a molecular weight of 805.04 g/mol, XLogP of 14.68, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[(Z)-1-[4-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]naphthalen-1-yl]-3-phenylprop-1-enyl]benzenecarboximidamide is sourced from PubChem (CID 176835262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).