N-[[3-[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]methyl]-N'-(N-methyl-C-phenylcarbonimidoyl)benzenecarboximidamide

C55H42N6 — CID 155039351

IUPACN-[[3-[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]methyl]-N'-(N-methyl-C-phenylcarbonimidoyl)benzenecarboximidamide
SMILESC/N=C(/N=C(/NCc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)c2)c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C55H42N6/c1-56-51(42-24-11-4-12-25-42)58-52(43-26-13-5-14-27-43)57-38-39-19-17-30-45(33-39)46-31-18-32-47(34-46)54-59-53(44-28-15-6-16-29-44)60-55(61-54)50-36-48(40-20-7-2-8-21-40)35-49(37-50)41-22-9-3-10-23-41/h2-37H,38H2,1H3,(H,56,57,58)
InChIKeyLPHWQTMDOVLZMM-UHFFFAOYSA-N
MW786.98 g/mol
LogP12.49
Rot. Bonds10

About N-[[3-[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]methyl]-N'-(N-methyl-C-phenylcarbonimidoyl)benzenecarboximidamide

N-[[3-[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]methyl]-N'-(N-methyl-C-phenylcarbonimidoyl)benzenecarboximidamide (PubChem CID 155039351) has the molecular formula C55H42N6 and a molecular weight of 786.98 g/mol. Its IUPAC name is N-[[3-[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]methyl]-N'-(N-methyl-C-phenylcarbonimidoyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-[[3-[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]methyl]-N'-(N-methyl-C-phenylcarbonimidoyl)benzenecarboximidamide
PubChem CID155039351
Molecular FormulaC55H42N6
Molecular Weight786.98 g/mol
Exact Mass786.35
IUPAC NameN-[[3-[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]methyl]-N'-(N-methyl-C-phenylcarbonimidoyl)benzenecarboximidamide
SMILESC/N=C(/N=C(/NCc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)c2)c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C55H42N6/c1-56-51(42-24-11-4-12-25-42)58-52(43-26-13-5-14-27-43)57-38-39-19-17-30-45(33-39)46-31-18-32-47(34-46)54-59-53(44-28-15-6-16-29-44)60-55(61-54)50-36-48(40-20-7-2-8-21-40)35-49(37-50)41-22-9-3-10-23-41/h2-37H,38H2,1H3,(H,56,57,58)
InChIKeyLPHWQTMDOVLZMM-UHFFFAOYSA-N
XLogP12.49
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.98
LogP ≤ 512.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[3-[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]methyl]-N'-(N-methyl-C-phenylcarbonimidoyl)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

2-(3,5-diphenylphenyl)-4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 160680702
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606668
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4,6-tris[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 162144884
2,4-diphenyl-6-[3-phenyl-5-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 126704955
2,4-diphenyl-6-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606672
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311586
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 166571456
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 157466607
2-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157455231
2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 121311668
2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606669
2,4-diphenyl-6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,5-triazine
CID 122470021

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]methyl]-N'-(N-methyl-C-phenylcarbonimidoyl)benzenecarboximidamide?
The IUPAC name of N-[[3-[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]methyl]-N'-(N-methyl-C-phenylcarbonimidoyl)benzenecarboximidamide (CID 155039351) is N-[[3-[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]methyl]-N'-(N-methyl-C-phenylcarbonimidoyl)benzenecarboximidamide.
What is the SMILES notation for N-[[3-[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]methyl]-N'-(N-methyl-C-phenylcarbonimidoyl)benzenecarboximidamide?
The canonical SMILES for N-[[3-[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]methyl]-N'-(N-methyl-C-phenylcarbonimidoyl)benzenecarboximidamide is C/N=C(/N=C(/NCc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)c2)c1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[3-[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]methyl]-N'-(N-methyl-C-phenylcarbonimidoyl)benzenecarboximidamide?
The InChIKey is LPHWQTMDOVLZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N6/c1-56-51(42-24-11-4-12-25-42)58-52(43-26-13-5-14-27-43)57-38-39-19-17-30-45(33-39)46-31-18-32-47(34-46)54-59-53(44-28-15-6-16-29-44)60-55(61-54)50-36-48(40-20-7-2-8-21-40)35-49(37-50)41-22-9-3-10-23-41/h2-37H,38H2,1H3,(H,56,57,58).
What are the key properties of N-[[3-[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]methyl]-N'-(N-methyl-C-phenylcarbonimidoyl)benzenecarboximidamide?
N-[[3-[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]methyl]-N'-(N-methyl-C-phenylcarbonimidoyl)benzenecarboximidamide has a molecular weight of 786.98 g/mol, XLogP of 12.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]methyl]-N'-(N-methyl-C-phenylcarbonimidoyl)benzenecarboximidamide is sourced from PubChem (CID 155039351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).