N-benzhydryl-N'-methyl-6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-carboximidamide

C57H40N2O — CID 153340673

IUPACN-benzhydryl-N'-methyl-6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-carboximidamide
SMILESC/N=C(/NC(c1ccccc1)c1ccccc1)c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c12
InChIInChI=1S/C57H40N2O/c1-58-57(59-54(39-22-10-4-11-23-39)40-24-12-5-13-25-40)49-33-32-43(41-30-31-48-46-28-15-14-26-44(46)45-27-16-17-29-47(45)51(48)34-41)56-53(49)52-36-42(37-18-6-2-7-19-37)35-50(55(52)60-56)38-20-8-3-9-21-38/h2-36,54H,1H3,(H,58,59)
InChIKeyZWVFSBSUXRKLKK-UHFFFAOYSA-N
MW768.96 g/mol
LogP14.80
Rot. Bonds7

About N-benzhydryl-N'-methyl-6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-carboximidamide

N-benzhydryl-N'-methyl-6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-carboximidamide (PubChem CID 153340673) has the molecular formula C57H40N2O and a molecular weight of 768.96 g/mol. Its IUPAC name is N-benzhydryl-N'-methyl-6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-carboximidamide.

Molecular Properties

Compound NameN-benzhydryl-N'-methyl-6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-carboximidamide
PubChem CID153340673
Molecular FormulaC57H40N2O
Molecular Weight768.96 g/mol
Exact Mass768.31
IUPAC NameN-benzhydryl-N'-methyl-6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-carboximidamide
SMILESC/N=C(/NC(c1ccccc1)c1ccccc1)c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c12
InChIInChI=1S/C57H40N2O/c1-58-57(59-54(39-22-10-4-11-23-39)40-24-12-5-13-25-40)49-33-32-43(41-30-31-48-46-28-15-14-26-44(46)45-27-16-17-29-47(45)51(48)34-41)56-53(49)52-36-42(37-18-6-2-7-19-37)35-50(55(52)60-56)38-20-8-3-9-21-38/h2-36,54H,1H3,(H,58,59)
InChIKeyZWVFSBSUXRKLKK-UHFFFAOYSA-N
XLogP14.80
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.96
LogP ≤ 514.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-benzhydryl-N'-methyl-6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-carboximidamide 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

4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran
CID 118651099
2-(6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphthalen-2-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-phenanthren-3-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 162235382
2,4,6,8-tetraphenyldibenzofuran-1-ol
CID 101377817
4-phenanthren-9-yl-6,8-diphenyldibenzofuran-1-carboximidamide
CID 153340661
2-dibenzofuran-3-yl-4-phenyl-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine
CID 139478984
2-phenanthren-2-yl-4-phenyl-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine;2-phenanthren-3-yl-4-phenyl-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine;2-phenanthren-9-yl-4-phenyl-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine
CID 160632178
2,4-diphenyl-6-[4-[8-phenyl-6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 164838394
(4,6,8-triphenyldibenzofuran-1-yl)methanimine
CID 153340539
19-(3-triphenylen-2-ylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 118439443
2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran
CID 158117088
18-phenyl-5-(4-phenylnaphthalen-1-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 118933539
4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran-1-carboximidamide
CID 153340631

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N'-methyl-6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-carboximidamide?
The IUPAC name of N-benzhydryl-N'-methyl-6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-carboximidamide (CID 153340673) is N-benzhydryl-N'-methyl-6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-carboximidamide.
What is the SMILES notation for N-benzhydryl-N'-methyl-6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-carboximidamide?
The canonical SMILES for N-benzhydryl-N'-methyl-6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-carboximidamide is C/N=C(/NC(c1ccccc1)c1ccccc1)c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c12.
What is the InChIKey of N-benzhydryl-N'-methyl-6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-carboximidamide?
The InChIKey is ZWVFSBSUXRKLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2O/c1-58-57(59-54(39-22-10-4-11-23-39)40-24-12-5-13-25-40)49-33-32-43(41-30-31-48-46-28-15-14-26-44(46)45-27-16-17-29-47(45)51(48)34-41)56-53(49)52-36-42(37-18-6-2-7-19-37)35-50(55(52)60-56)38-20-8-3-9-21-38/h2-36,54H,1H3,(H,58,59).
What are the key properties of N-benzhydryl-N'-methyl-6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-carboximidamide?
N-benzhydryl-N'-methyl-6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-carboximidamide has a molecular weight of 768.96 g/mol, XLogP of 14.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N'-methyl-6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-carboximidamide is sourced from PubChem (CID 153340673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).