N'-(N-benzyl-C-phenylcarbonimidoyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-methylidene-5-(3-phenylbenzo[f]quinolin-1-yl)benzenecarboximidamide

C56H39N7 — CID 138643801

IUPACN'-(N-benzyl-C-phenylcarbonimidoyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-methylidene-5-(3-phenylbenzo[f]quinolin-1-yl)benzenecarboximidamide
SMILESC=N/C(=N\C(=N\Cc1ccccc1)c1ccccc1)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cc(-c3ccccc3)nc3ccc4ccccc4c23)c1
InChIInChI=1S/C56H39N7/c1-57-52(60-53(41-24-11-4-12-25-41)58-37-38-19-7-2-8-20-38)45-33-44(48-36-50(40-22-9-3-10-23-40)59-49-32-31-39-21-17-18-30-47(39)51(48)49)34-46(35-45)56-62-54(42-26-13-5-14-27-42)61-55(63-56)43-28-15-6-16-29-43/h2-36H,1,37H2/b58-53+,60-52-
InChIKeyJYRPUAIPAFPBGU-NQLMVVGZSA-N
MW809.98 g/mol
LogP13.00
Rot. Bonds9

About N'-(N-benzyl-C-phenylcarbonimidoyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-methylidene-5-(3-phenylbenzo[f]quinolin-1-yl)benzenecarboximidamide

N'-(N-benzyl-C-phenylcarbonimidoyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-methylidene-5-(3-phenylbenzo[f]quinolin-1-yl)benzenecarboximidamide (PubChem CID 138643801) has the molecular formula C56H39N7 and a molecular weight of 809.98 g/mol. Its IUPAC name is N'-(N-benzyl-C-phenylcarbonimidoyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-methylidene-5-(3-phenylbenzo[f]quinolin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(N-benzyl-C-phenylcarbonimidoyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-methylidene-5-(3-phenylbenzo[f]quinolin-1-yl)benzenecarboximidamide
PubChem CID138643801
Molecular FormulaC56H39N7
Molecular Weight809.98 g/mol
Exact Mass809.33
IUPAC NameN'-(N-benzyl-C-phenylcarbonimidoyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-methylidene-5-(3-phenylbenzo[f]quinolin-1-yl)benzenecarboximidamide
SMILESC=N/C(=N\C(=N\Cc1ccccc1)c1ccccc1)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cc(-c3ccccc3)nc3ccc4ccccc4c23)c1
InChIInChI=1S/C56H39N7/c1-57-52(60-53(41-24-11-4-12-25-41)58-37-38-19-7-2-8-20-38)45-33-44(48-36-50(40-22-9-3-10-23-40)59-49-32-31-39-21-17-18-30-47(39)51(48)49)34-46(35-45)56-62-54(42-26-13-5-14-27-42)61-55(63-56)43-28-15-6-16-29-43/h2-36H,1,37H2/b58-53+,60-52-
InChIKeyJYRPUAIPAFPBGU-NQLMVVGZSA-N
XLogP13.00
TPSA88.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.98
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N'-(N-benzyl-C-phenylcarbonimidoyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-methylidene-5-(3-phenylbenzo[f]quinolin-1-yl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-1-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[f]quinoline
CID 146185486
1-phenyl-3-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[f]quinoline
CID 146185379
1-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185499
3-phenyl-1-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[f]quinoline
CID 146185375
1-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311
3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 146185305
1-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-3-phenylbenzo[f]quinoline
CID 146185485
3-phenyl-1-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzo[f]quinoline
CID 138643749
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide
CID 142293920
3-phenyl-1-[3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzo[f]quinoline
CID 138643958
1-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-phenylbenzo[f]quinoline
CID 146185511
3-phenyl-1-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzo[f]quinoline
CID 138643926

Frequently Asked Questions

What is the IUPAC name of N'-(N-benzyl-C-phenylcarbonimidoyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-methylidene-5-(3-phenylbenzo[f]quinolin-1-yl)benzenecarboximidamide?
The IUPAC name of N'-(N-benzyl-C-phenylcarbonimidoyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-methylidene-5-(3-phenylbenzo[f]quinolin-1-yl)benzenecarboximidamide (CID 138643801) is N'-(N-benzyl-C-phenylcarbonimidoyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-methylidene-5-(3-phenylbenzo[f]quinolin-1-yl)benzenecarboximidamide.
What is the SMILES notation for N'-(N-benzyl-C-phenylcarbonimidoyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-methylidene-5-(3-phenylbenzo[f]quinolin-1-yl)benzenecarboximidamide?
The canonical SMILES for N'-(N-benzyl-C-phenylcarbonimidoyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-methylidene-5-(3-phenylbenzo[f]quinolin-1-yl)benzenecarboximidamide is C=N/C(=N\C(=N\Cc1ccccc1)c1ccccc1)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cc(-c3ccccc3)nc3ccc4ccccc4c23)c1.
What is the InChIKey of N'-(N-benzyl-C-phenylcarbonimidoyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-methylidene-5-(3-phenylbenzo[f]quinolin-1-yl)benzenecarboximidamide?
The InChIKey is JYRPUAIPAFPBGU-NQLMVVGZSA-N. The full InChI is InChI=1S/C56H39N7/c1-57-52(60-53(41-24-11-4-12-25-41)58-37-38-19-7-2-8-20-38)45-33-44(48-36-50(40-22-9-3-10-23-40)59-49-32-31-39-21-17-18-30-47(39)51(48)49)34-46(35-45)56-62-54(42-26-13-5-14-27-42)61-55(63-56)43-28-15-6-16-29-43/h2-36H,1,37H2/b58-53+,60-52-.
What are the key properties of N'-(N-benzyl-C-phenylcarbonimidoyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-methylidene-5-(3-phenylbenzo[f]quinolin-1-yl)benzenecarboximidamide?
N'-(N-benzyl-C-phenylcarbonimidoyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-methylidene-5-(3-phenylbenzo[f]quinolin-1-yl)benzenecarboximidamide has a molecular weight of 809.98 g/mol, XLogP of 13.00, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N-benzyl-C-phenylcarbonimidoyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-methylidene-5-(3-phenylbenzo[f]quinolin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 138643801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).