N-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide

C34H27N3O — CID 162363127

IUPACN-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide
SMILESCc1ccc(C(/N=C(\N)c2ccc(-c3ccccc3)cc2)=N/Cc2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C34H27N3O/c1-23-11-14-28(15-12-23)34(37-33(35)27-18-16-26(17-19-27)25-7-3-2-4-8-25)36-22-24-13-20-30-29-9-5-6-10-31(29)38-32(30)21-24/h2-21H,22H2,1H3,(H2,35,36,37)
InChIKeyYYGYFXNKIDBCOI-UHFFFAOYSA-N
MW493.61 g/mol
LogP7.91
Rot. Bonds5

About N-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide

N-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide (PubChem CID 162363127) has the molecular formula C34H27N3O and a molecular weight of 493.61 g/mol. Its IUPAC name is N-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide
PubChem CID162363127
Molecular FormulaC34H27N3O
Molecular Weight493.61 g/mol
Exact Mass493.22
IUPAC NameN-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide
SMILESCc1ccc(C(/N=C(\N)c2ccc(-c3ccccc3)cc2)=N/Cc2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C34H27N3O/c1-23-11-14-28(15-12-23)34(37-33(35)27-18-16-26(17-19-27)25-7-3-2-4-8-25)36-22-24-13-20-30-29-9-5-6-10-31(29)38-32(30)21-24/h2-21H,22H2,1H3,(H2,35,36,37)
InChIKeyYYGYFXNKIDBCOI-UHFFFAOYSA-N
XLogP7.91
TPSA63.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 57.91
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'}

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Related Compounds

N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 177112541
N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide
CID 144645775
N'-[N-[[8-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)dibenzofuran-3-yl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 178110430
N-[amino(phenyl)methylidene]-N'-benzyl-4-(3-dibenzofuran-3-ylcarbazol-9-yl)-3-phenylbenzenecarboximidamide
CID 170137005
N'-[C-phenyl-N-[(7,7,8,8-tetramethylpicen-2-yl)methyl]carbonimidoyl]dibenzofuran-3-carboximidamide
CID 176798493
N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
CID 146395700
N-[amino(phenyl)methylidene]-N'-benzyl-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]benzenecarboximidamide
CID 155203954
N-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 171052336
2-phenyl-4-(4-phenylphenyl)-N'-[C-phenyl-N-[(4-phenylphenyl)methyl]carbonimidoyl]-[1]benzofuro[3,2-d]pyrimidine-7-carboximidamide
CID 170946791
8-amino-N'-(N-benzyl-C-dibenzofuran-3-ylcarbonimidoyl)-7-[(4-phenylphenyl)methylsulfanyl]dibenzofuran-1-carboximidamide
CID 167129353
N'-[C-naphthalen-2-yl-N-[[8-(3-phenylphenyl)dibenzofuran-1-yl]methyl]carbonimidoyl]dibenzofuran-3-carboximidamide
CID 170246169
N-[amino(phenyl)methylidene]-N'-[[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]methyl]-3-phenylbenzenecarboximidamide
CID 170135042

Frequently Asked Questions

What is the IUPAC name of N-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide?
The IUPAC name of N-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide (CID 162363127) is N-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide.
What is the SMILES notation for N-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide?
The canonical SMILES for N-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide is Cc1ccc(C(/N=C(\N)c2ccc(-c3ccccc3)cc2)=N/Cc2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of N-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide?
The InChIKey is YYGYFXNKIDBCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N3O/c1-23-11-14-28(15-12-23)34(37-33(35)27-18-16-26(17-19-27)25-7-3-2-4-8-25)36-22-24-13-20-30-29-9-5-6-10-31(29)38-32(30)21-24/h2-21H,22H2,1H3,(H2,35,36,37).
What are the key properties of N-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide?
N-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide has a molecular weight of 493.61 g/mol, XLogP of 7.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide is sourced from PubChem (CID 162363127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).