N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide

C44H31N3O — CID 145447845

IUPACN'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N=C(/N)c1cccc(-c2cccc3oc4ccc(-c5ccccc5-c5ccccc5-c5ccccc5)cc4c23)c1)c1ccccc1
InChIInChI=1S/C44H31N3O/c45-43(30-15-5-2-6-16-30)47-44(46)33-18-11-17-31(27-33)36-23-12-24-41-42(36)39-28-32(25-26-40(39)48-41)35-20-8-10-22-38(35)37-21-9-7-19-34(37)29-13-3-1-4-14-29/h1-28H,(H3,45,46,47)
InChIKeyOWMGJGRQKVBOSC-UHFFFAOYSA-N
MW617.75 g/mol
LogP10.98
Rot. Bonds6

About N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide

N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide (PubChem CID 145447845) has the molecular formula C44H31N3O and a molecular weight of 617.75 g/mol. Its IUPAC name is N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide
PubChem CID145447845
Molecular FormulaC44H31N3O
Molecular Weight617.75 g/mol
Exact Mass617.25
IUPAC NameN'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N=C(/N)c1cccc(-c2cccc3oc4ccc(-c5ccccc5-c5ccccc5-c5ccccc5)cc4c23)c1)c1ccccc1
InChIInChI=1S/C44H31N3O/c45-43(30-15-5-2-6-16-30)47-44(46)33-18-11-17-31(27-33)36-23-12-24-41-42(36)39-28-32(25-26-40(39)48-41)35-20-8-10-22-38(35)37-21-9-7-19-34(37)29-13-3-1-4-14-29/h1-28H,(H3,45,46,47)
InChIKeyOWMGJGRQKVBOSC-UHFFFAOYSA-N
XLogP10.98
TPSA75.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.75
LogP ≤ 510.98
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-(5-dibenzofuran-2-yltriphenylen-2-yl)-N-methylidenebenzenecarboximidamide
CID 145452775
N-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide
CID 174023175
9,9-dimethyl-N'-[4-(8-phenanthren-9-yldibenzofuran-1-yl)benzenecarboximidoyl]fluorene-4-carboximidamide
CID 145447662
N-[phenyl-[[8-(6-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methylideneamino]methylidene]benzenecarboximidamide
CID 156643465
N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 142451988
[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-phenylmethanimine
CID 145447832
8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene
CID 156643264
N'-(benzenecarboximidoyl)-3-[5-[9-(4-phenylphenyl)carbazol-2-yl]triphenylen-2-yl]benzenecarboximidamide
CID 145452787
(Z)-3-imino-1-phenyl-3-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]prop-1-en-1-amine
CID 145447951
N-[amino-(4-phenylphenyl)methylidene]dibenzofuran-2-carboximidamide;2-methyl-5-phenyl-9H-fluorene
CID 142615355
N-[amino(phenyl)methylidene]-4-(2-cyanophenyl)benzenecarboximidamide
CID 142469905

Frequently Asked Questions

What is the IUPAC name of N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide?
The IUPAC name of N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide (CID 145447845) is N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide.
What is the SMILES notation for N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide?
The canonical SMILES for N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide is [H]/N=C(\N=C(/N)c1cccc(-c2cccc3oc4ccc(-c5ccccc5-c5ccccc5-c5ccccc5)cc4c23)c1)c1ccccc1.
What is the InChIKey of N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide?
The InChIKey is OWMGJGRQKVBOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N3O/c45-43(30-15-5-2-6-16-30)47-44(46)33-18-11-17-31(27-33)36-23-12-24-41-42(36)39-28-32(25-26-40(39)48-41)35-20-8-10-22-38(35)37-21-9-7-19-34(37)29-13-3-1-4-14-29/h1-28H,(H3,45,46,47).
What are the key properties of N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide?
N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide has a molecular weight of 617.75 g/mol, XLogP of 10.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide is sourced from PubChem (CID 145447845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).