N'-(N-benzyl-C-phenylcarbonimidoyl)-3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-N-methylidene-5-(3-quinolin-7-ylphenyl)benzenecarboximidamide

C55H46N4 — CID 144775622

About N'-(N-benzyl-C-phenylcarbonimidoyl)-3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-N-methylidene-5-(3-quinolin-7-ylphenyl)benzenecarboximidamide

N'-(N-benzyl-C-phenylcarbonimidoyl)-3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-N-methylidene-5-(3-quinolin-7-ylphenyl)benzenecarboximidamide (PubChem CID 144775622) has the molecular formula C55H46N4 and a molecular weight of 763.00 g/mol. Its IUPAC name is N'-(N-benzyl-C-phenylcarbonimidoyl)-3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-N-methylidene-5-(3-quinolin-7-ylphenyl)benzenecarboximidamide.

Molecular Properties

• Compound Name: N'-(N-benzyl-C-phenylcarbonimidoyl)-3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-N-methylidene-5-(3-quinolin-7-ylphenyl)benzenecarboximidamide
• PubChem CID: 144775622
• Molecular Formula: C55H46N4
• Molecular Weight: 763.00 g/mol
• Exact Mass: 762.37
• IUPAC Name: N'-(N-benzyl-C-phenylcarbonimidoyl)-3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-N-methylidene-5-(3-quinolin-7-ylphenyl)benzenecarboximidamide
• SMILES: C=N/C(=N\C(=N\Cc1ccccc1)c1ccccc1)c1cc(-c2cccc(-c3ccc4cccnc4c3)c2)cc(-c2ccc3c(/C=C\C)c(C)c(C)c(/C=C\C)c3c2)c1
• InChI: InChI=1S/C55H46N4/c1-6-16-49-37(3)38(4)50(17-7-2)52-34-44(27-28-51(49)52)47-31-46(43-23-14-22-42(30-43)45-26-25-40-24-15-29-57-53(40)35-45)32-48(33-47)54(56-5)59-55(41-20-12-9-13-21-41)58-36-39-18-10-8-11-19-39/h6-35H,5,36H2,1-4H3/b16-6-,17-7-,58-55+,59-54-
• InChIKey: VYKMSCLQLYHKJR-CLPFGQCYSA-N
• XLogP: 14.17
• TPSA: 49.97 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.00
LogP ≤ 5	14.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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'-(N-benzyl-C-phenylcarbonimidoyl)-3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-N-methylidene-5-(3-quinolin-7-ylphenyl)benzenecarboximidamide?

The IUPAC name of N'-(N-benzyl-C-phenylcarbonimidoyl)-3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-N-methylidene-5-(3-quinolin-7-ylphenyl)benzenecarboximidamide (CID 144775622) is N'-(N-benzyl-C-phenylcarbonimidoyl)-3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-N-methylidene-5-(3-quinolin-7-ylphenyl)benzenecarboximidamide.

What is the SMILES notation for N'-(N-benzyl-C-phenylcarbonimidoyl)-3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-N-methylidene-5-(3-quinolin-7-ylphenyl)benzenecarboximidamide?

The canonical SMILES for N'-(N-benzyl-C-phenylcarbonimidoyl)-3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-N-methylidene-5-(3-quinolin-7-ylphenyl)benzenecarboximidamide is C=N/C(=N\C(=N\Cc1ccccc1)c1ccccc1)c1cc(-c2cccc(-c3ccc4cccnc4c3)c2)cc(-c2ccc3c(/C=C\C)c(C)c(C)c(/C=C\C)c3c2)c1.

What is the InChIKey of N'-(N-benzyl-C-phenylcarbonimidoyl)-3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-N-methylidene-5-(3-quinolin-7-ylphenyl)benzenecarboximidamide?

The InChIKey is VYKMSCLQLYHKJR-CLPFGQCYSA-N. The full InChI is InChI=1S/C55H46N4/c1-6-16-49-37(3)38(4)50(17-7-2)52-34-44(27-28-51(49)52)47-31-46(43-23-14-22-42(30-43)45-26-25-40-24-15-29-57-53(40)35-45)32-48(33-47)54(56-5)59-55(41-20-12-9-13-21-41)58-36-39-18-10-8-11-19-39/h6-35H,5,36H2,1-4H3/b16-6-,17-7-,58-55+,59-54-.

What are the key properties of N'-(N-benzyl-C-phenylcarbonimidoyl)-3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-N-methylidene-5-(3-quinolin-7-ylphenyl)benzenecarboximidamide?

N'-(N-benzyl-C-phenylcarbonimidoyl)-3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-N-methylidene-5-(3-quinolin-7-ylphenyl)benzenecarboximidamide has a molecular weight of 763.00 g/mol, XLogP of 14.17, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(N-benzyl-C-phenylcarbonimidoyl)-3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-N-methylidene-5-(3-quinolin-7-ylphenyl)benzenecarboximidamide is sourced from PubChem (CID 144775622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).