N-methylidene-N'-[C-phenyl-N-[[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]methyl]carbonimidoyl]benzenecarboximidamide

C58H42N4O — CID 144781998

IUPACN-methylidene-N'-[C-phenyl-N-[[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]methyl]carbonimidoyl]benzenecarboximidamide
SMILESC=N/C(=N\C(=N/Cc1cccc2c1oc1c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cccc12)c1ccccc1)c1ccccc1
InChIInChI=1S/C58H42N4O/c1-59-57(46-20-10-4-11-21-46)61-58(47-22-12-5-13-23-47)60-40-48-24-14-26-53-54-27-15-25-52(56(54)63-55(48)53)45-32-38-51(39-33-45)62(49-34-28-43(29-35-49)41-16-6-2-7-17-41)50-36-30-44(31-37-50)42-18-8-3-9-19-42/h2-39H,1,40H2/b60-58-,61-57-
InChIKeyZYSSGIDMAAXXJW-NPKSQTACSA-N
MW811.00 g/mol
LogP15.15
Rot. Bonds10

About N-methylidene-N'-[C-phenyl-N-[[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]methyl]carbonimidoyl]benzenecarboximidamide

N-methylidene-N'-[C-phenyl-N-[[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]methyl]carbonimidoyl]benzenecarboximidamide (PubChem CID 144781998) has the molecular formula C58H42N4O and a molecular weight of 811.00 g/mol. Its IUPAC name is N-methylidene-N'-[C-phenyl-N-[[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]methyl]carbonimidoyl]benzenecarboximidamide.

Molecular Properties

Compound NameN-methylidene-N'-[C-phenyl-N-[[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]methyl]carbonimidoyl]benzenecarboximidamide
PubChem CID144781998
Molecular FormulaC58H42N4O
Molecular Weight811.00 g/mol
Exact Mass810.34
IUPAC NameN-methylidene-N'-[C-phenyl-N-[[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]methyl]carbonimidoyl]benzenecarboximidamide
SMILESC=N/C(=N\C(=N/Cc1cccc2c1oc1c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cccc12)c1ccccc1)c1ccccc1
InChIInChI=1S/C58H42N4O/c1-59-57(46-20-10-4-11-21-46)61-58(47-22-12-5-13-23-47)60-40-48-24-14-26-53-54-27-15-25-52(56(54)63-55(48)53)45-32-38-51(39-33-45)62(49-34-28-43(29-35-49)41-16-6-2-7-17-41)50-36-30-44(31-37-50)42-18-8-3-9-19-42/h2-39H,1,40H2/b60-58-,61-57-
InChIKeyZYSSGIDMAAXXJW-NPKSQTACSA-N
XLogP15.15
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.00
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methylidene-N'-[C-phenyl-N-[[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]methyl]carbonimidoyl]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

N'-(N-benzyl-C-phenylcarbonimidoyl)-8-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-phenylanilino)phenyl]-N-methylidenedibenzofuran-1-carboximidamide
CID 142427293
N-phenyl-4-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline
CID 131997663
4-phenyl-N-[4-[3-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121296601
N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 130466777
N,4-diphenyl-N-[4-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]phenyl]aniline
CID 130208173
N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126851
N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402762
N,N-bis(4-naphthalen-1-ylphenyl)-4-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-[4-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 162090302
N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
CID 121296696
1-N,3-N-dinaphthalen-1-yl-1-N,3-N-diphenyl-5-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-5-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 139393653
4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 164724700
N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 130466814

Frequently Asked Questions

What is the IUPAC name of N-methylidene-N'-[C-phenyl-N-[[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]methyl]carbonimidoyl]benzenecarboximidamide?
The IUPAC name of N-methylidene-N'-[C-phenyl-N-[[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]methyl]carbonimidoyl]benzenecarboximidamide (CID 144781998) is N-methylidene-N'-[C-phenyl-N-[[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]methyl]carbonimidoyl]benzenecarboximidamide.
What is the SMILES notation for N-methylidene-N'-[C-phenyl-N-[[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]methyl]carbonimidoyl]benzenecarboximidamide?
The canonical SMILES for N-methylidene-N'-[C-phenyl-N-[[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]methyl]carbonimidoyl]benzenecarboximidamide is C=N/C(=N\C(=N/Cc1cccc2c1oc1c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cccc12)c1ccccc1)c1ccccc1.
What is the InChIKey of N-methylidene-N'-[C-phenyl-N-[[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]methyl]carbonimidoyl]benzenecarboximidamide?
The InChIKey is ZYSSGIDMAAXXJW-NPKSQTACSA-N. The full InChI is InChI=1S/C58H42N4O/c1-59-57(46-20-10-4-11-21-46)61-58(47-22-12-5-13-23-47)60-40-48-24-14-26-53-54-27-15-25-52(56(54)63-55(48)53)45-32-38-51(39-33-45)62(49-34-28-43(29-35-49)41-16-6-2-7-17-41)50-36-30-44(31-37-50)42-18-8-3-9-19-42/h2-39H,1,40H2/b60-58-,61-57-.
What are the key properties of N-methylidene-N'-[C-phenyl-N-[[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]methyl]carbonimidoyl]benzenecarboximidamide?
N-methylidene-N'-[C-phenyl-N-[[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]methyl]carbonimidoyl]benzenecarboximidamide has a molecular weight of 811.00 g/mol, XLogP of 15.15, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-[C-phenyl-N-[[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]methyl]carbonimidoyl]benzenecarboximidamide is sourced from PubChem (CID 144781998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).