N-[amino(phenyl)methylidene]-N'-[[2-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]methyl]-4-phenylbenzenecarboximidamide

C51H36N4O — CID 170131255

IUPACN-[amino(phenyl)methylidene]-N'-[[2-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]methyl]-4-phenylbenzenecarboximidamide
SMILESN/C(=N\C(=N/Cc1ccccc1-n1c2ccccc2c2cc(-c3cccc4c3oc3ccccc34)ccc21)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C51H36N4O/c52-50(36-16-5-2-6-17-36)54-51(37-28-26-35(27-29-37)34-14-3-1-4-15-34)53-33-39-18-7-10-23-45(39)55-46-24-11-8-19-41(46)44-32-38(30-31-47(44)55)40-21-13-22-43-42-20-9-12-25-48(42)56-49(40)43/h1-32H,33H2,(H2,52,53,54)
InChIKeyQJPGXZUSCPROFO-UHFFFAOYSA-N
MW720.88 g/mol
LogP12.37
Rot. Bonds7

About N-[amino(phenyl)methylidene]-N'-[[2-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]methyl]-4-phenylbenzenecarboximidamide

N-[amino(phenyl)methylidene]-N'-[[2-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]methyl]-4-phenylbenzenecarboximidamide (PubChem CID 170131255) has the molecular formula C51H36N4O and a molecular weight of 720.88 g/mol. Its IUPAC name is N-[amino(phenyl)methylidene]-N'-[[2-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]methyl]-4-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN-[amino(phenyl)methylidene]-N'-[[2-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]methyl]-4-phenylbenzenecarboximidamide
PubChem CID170131255
Molecular FormulaC51H36N4O
Molecular Weight720.88 g/mol
Exact Mass720.29
IUPAC NameN-[amino(phenyl)methylidene]-N'-[[2-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]methyl]-4-phenylbenzenecarboximidamide
SMILESN/C(=N\C(=N/Cc1ccccc1-n1c2ccccc2c2cc(-c3cccc4c3oc3ccccc34)ccc21)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C51H36N4O/c52-50(36-16-5-2-6-17-36)54-51(37-28-26-35(27-29-37)34-14-3-1-4-15-34)53-33-39-18-7-10-23-45(39)55-46-24-11-8-19-41(46)44-32-38(30-31-47(44)55)40-21-13-22-43-42-20-9-12-25-48(42)56-49(40)43/h1-32H,33H2,(H2,52,53,54)
InChIKeyQJPGXZUSCPROFO-UHFFFAOYSA-N
XLogP12.37
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.88
LogP ≤ 512.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[amino(phenyl)methylidene]-N'-[[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]methyl]-3-phenylbenzenecarboximidamide
CID 170135042
9-dibenzofuran-1-yl-3-dibenzofuran-4-ylcarbazole
CID 118504742
N'-[N-[[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 170135017
3-dibenzofuran-4-yl-9-(2-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 177209647
N-[1-(3-dibenzofuran-4-ylcarbazol-9-yl)ethylidene]-N'-[(E)-1-phenylprop-1-enyl]benzenecarboximidamide
CID 158024792
7-dibenzofuran-1-yl-N'-[N-(dibenzofuran-1-ylmethyl)-C-phenylcarbonimidoyl]naphthalene-2-carboximidamide
CID 170243820
3-[9-dibenzofuran-4-yl-6-[3-[8-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]dibenzofuran-4-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole
CID 137420572
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole
CID 118458137
9-(2-anthracen-9-ylphenyl)-3-dibenzofuran-4-ylcarbazole
CID 87156910
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884

Frequently Asked Questions

What is the IUPAC name of N-[amino(phenyl)methylidene]-N'-[[2-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]methyl]-4-phenylbenzenecarboximidamide?
The IUPAC name of N-[amino(phenyl)methylidene]-N'-[[2-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]methyl]-4-phenylbenzenecarboximidamide (CID 170131255) is N-[amino(phenyl)methylidene]-N'-[[2-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]methyl]-4-phenylbenzenecarboximidamide.
What is the SMILES notation for N-[amino(phenyl)methylidene]-N'-[[2-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]methyl]-4-phenylbenzenecarboximidamide?
The canonical SMILES for N-[amino(phenyl)methylidene]-N'-[[2-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]methyl]-4-phenylbenzenecarboximidamide is N/C(=N\C(=N/Cc1ccccc1-n1c2ccccc2c2cc(-c3cccc4c3oc3ccccc34)ccc21)c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-[amino(phenyl)methylidene]-N'-[[2-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]methyl]-4-phenylbenzenecarboximidamide?
The InChIKey is QJPGXZUSCPROFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N4O/c52-50(36-16-5-2-6-17-36)54-51(37-28-26-35(27-29-37)34-14-3-1-4-15-34)53-33-39-18-7-10-23-45(39)55-46-24-11-8-19-41(46)44-32-38(30-31-47(44)55)40-21-13-22-43-42-20-9-12-25-48(42)56-49(40)43/h1-32H,33H2,(H2,52,53,54).
What are the key properties of N-[amino(phenyl)methylidene]-N'-[[2-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]methyl]-4-phenylbenzenecarboximidamide?
N-[amino(phenyl)methylidene]-N'-[[2-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]methyl]-4-phenylbenzenecarboximidamide has a molecular weight of 720.88 g/mol, XLogP of 12.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(phenyl)methylidene]-N'-[[2-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]methyl]-4-phenylbenzenecarboximidamide is sourced from PubChem (CID 170131255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).