N-[amino-(4-phenylphenyl)methylidene]dibenzofuran-2-carboximidamide;2-methyl-5-phenyl-9H-fluorene

C46H35N3O — CID 142615355

IUPACN-[amino-(4-phenylphenyl)methylidene]dibenzofuran-2-carboximidamide;2-methyl-5-phenyl-9H-fluorene
SMILESCc1ccc2c(c1)Cc1cccc(-c3ccccc3)c1-2.[H]/N=C(\N=C(/N)c1ccc(-c2ccccc2)cc1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C26H19N3O.C20H16/c27-25(19-12-10-18(11-13-19)17-6-2-1-3-7-17)29-26(28)20-14-15-24-22(16-20)21-8-4-5-9-23(21)30-24;1-14-10-11-19-17(12-14)13-16-8-5-9-18(20(16)19)15-6-3-2-4-7-15/h1-16H,(H3,27,28,29);2-12H,13H2,1H3
InChIKeyIAZJEDBLJALKTD-UHFFFAOYSA-N
MW645.81 g/mol
LogP11.22
Rot. Bonds4

About N-[amino-(4-phenylphenyl)methylidene]dibenzofuran-2-carboximidamide;2-methyl-5-phenyl-9H-fluorene

N-[amino-(4-phenylphenyl)methylidene]dibenzofuran-2-carboximidamide;2-methyl-5-phenyl-9H-fluorene (PubChem CID 142615355) has the molecular formula C46H35N3O and a molecular weight of 645.81 g/mol. Its IUPAC name is N-[amino-(4-phenylphenyl)methylidene]dibenzofuran-2-carboximidamide;2-methyl-5-phenyl-9H-fluorene.

Molecular Properties

Compound NameN-[amino-(4-phenylphenyl)methylidene]dibenzofuran-2-carboximidamide;2-methyl-5-phenyl-9H-fluorene
PubChem CID142615355
Molecular FormulaC46H35N3O
Molecular Weight645.81 g/mol
Exact Mass645.28
IUPAC NameN-[amino-(4-phenylphenyl)methylidene]dibenzofuran-2-carboximidamide;2-methyl-5-phenyl-9H-fluorene
SMILESCc1ccc2c(c1)Cc1cccc(-c3ccccc3)c1-2.[H]/N=C(\N=C(/N)c1ccc(-c2ccccc2)cc1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C26H19N3O.C20H16/c27-25(19-12-10-18(11-13-19)17-6-2-1-3-7-17)29-26(28)20-14-15-24-22(16-20)21-8-4-5-9-23(21)30-24;1-14-10-11-19-17(12-14)13-16-8-5-9-18(20(16)19)15-6-3-2-4-7-15/h1-16H,(H3,27,28,29);2-12H,13H2,1H3
InChIKeyIAZJEDBLJALKTD-UHFFFAOYSA-N
XLogP11.22
TPSA75.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.81
LogP ≤ 511.22
H-Bond Donors ≤ 52
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]-9,9-dimethylfluorene-2-carboximidamide;1-(3-methylphenyl)-8-phenanthren-3-yldibenzofuran
CID 145447143
N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide
CID 145447845
8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene
CID 156643264
N-[amino(phenyl)methylidene]-3-[3-(9,9-dimethylfluoren-2-yl)phenyl]benzenecarboximidamide;toluene
CID 145110773
N-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide
CID 162363127
N-[cyclohexa-1,5-dien-1-yl-(8-methyldibenzofuran-1-yl)methylidene]-4-phenylbenzenecarboximidamide
CID 170143185
N-[amino(phenyl)methylidene]-7,8-dihydrodibenzofuran-2-carboximidamide
CID 142481944
dibenzofuran-2-carboximidamide;hydrochloride
CID 156828195
dibenzofuran-2-yl-(3-phenylphenyl)methanimine
CID 167230437
9,9-dimethyl-N'-[4-(8-phenanthren-9-yldibenzofuran-1-yl)benzenecarboximidoyl]fluorene-4-carboximidamide
CID 145447662
N-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide
CID 174023175
N-[amino(phenyl)methylidene]-10-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenanthrene-9-carboximidamide
CID 137302881

Frequently Asked Questions

What is the IUPAC name of N-[amino-(4-phenylphenyl)methylidene]dibenzofuran-2-carboximidamide;2-methyl-5-phenyl-9H-fluorene?
The IUPAC name of N-[amino-(4-phenylphenyl)methylidene]dibenzofuran-2-carboximidamide;2-methyl-5-phenyl-9H-fluorene (CID 142615355) is N-[amino-(4-phenylphenyl)methylidene]dibenzofuran-2-carboximidamide;2-methyl-5-phenyl-9H-fluorene.
What is the SMILES notation for N-[amino-(4-phenylphenyl)methylidene]dibenzofuran-2-carboximidamide;2-methyl-5-phenyl-9H-fluorene?
The canonical SMILES for N-[amino-(4-phenylphenyl)methylidene]dibenzofuran-2-carboximidamide;2-methyl-5-phenyl-9H-fluorene is Cc1ccc2c(c1)Cc1cccc(-c3ccccc3)c1-2.[H]/N=C(\N=C(/N)c1ccc(-c2ccccc2)cc1)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-[amino-(4-phenylphenyl)methylidene]dibenzofuran-2-carboximidamide;2-methyl-5-phenyl-9H-fluorene?
The InChIKey is IAZJEDBLJALKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O.C20H16/c27-25(19-12-10-18(11-13-19)17-6-2-1-3-7-17)29-26(28)20-14-15-24-22(16-20)21-8-4-5-9-23(21)30-24;1-14-10-11-19-17(12-14)13-16-8-5-9-18(20(16)19)15-6-3-2-4-7-15/h1-16H,(H3,27,28,29);2-12H,13H2,1H3.
What are the key properties of N-[amino-(4-phenylphenyl)methylidene]dibenzofuran-2-carboximidamide;2-methyl-5-phenyl-9H-fluorene?
N-[amino-(4-phenylphenyl)methylidene]dibenzofuran-2-carboximidamide;2-methyl-5-phenyl-9H-fluorene has a molecular weight of 645.81 g/mol, XLogP of 11.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(4-phenylphenyl)methylidene]dibenzofuran-2-carboximidamide;2-methyl-5-phenyl-9H-fluorene is sourced from PubChem (CID 142615355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).