8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene

C57H40N4O2 — CID 156643264

IUPAC8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene
SMILESCc1ccccc1.[H]/N=C(/N=C(/N)c1cccc2oc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5oc6ccccc6c45)cc3c12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C50H32N4O2.C7H8/c51-49(32-23-21-31(22-24-32)30-11-2-1-3-12-30)53-50(52)38-16-10-20-45-48(38)40-27-33(25-26-44(40)55-45)39-28-34(29-46-47(39)37-15-6-9-19-43(37)56-46)54-41-17-7-4-13-35(41)36-14-5-8-18-42(36)54;1-7-5-3-2-4-6-7/h1-29H,(H3,51,52,53);2-6H,1H3
InChIKeyKJHTWBDRLRLCHF-UHFFFAOYSA-N
MW812.97 g/mol
LogP14.64
Rot. Bonds5

About 8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene

8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene (PubChem CID 156643264) has the molecular formula C57H40N4O2 and a molecular weight of 812.97 g/mol. Its IUPAC name is 8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene.

Molecular Properties

Compound Name8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene
PubChem CID156643264
Molecular FormulaC57H40N4O2
Molecular Weight812.97 g/mol
Exact Mass812.32
IUPAC Name8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene
SMILESCc1ccccc1.[H]/N=C(/N=C(/N)c1cccc2oc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5oc6ccccc6c45)cc3c12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C50H32N4O2.C7H8/c51-49(32-23-21-31(22-24-32)30-11-2-1-3-12-30)53-50(52)38-16-10-20-45-48(38)40-27-33(25-26-44(40)55-45)39-28-34(29-46-47(39)37-15-6-9-19-43(37)56-46)54-41-17-7-4-13-35(41)36-14-5-8-18-42(36)54;1-7-5-3-2-4-6-7/h1-29H,(H3,51,52,53);2-6H,1H3
InChIKeyKJHTWBDRLRLCHF-UHFFFAOYSA-N
XLogP14.64
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.97
LogP ≤ 514.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-(naphthalene-2-carboximidoyl)dibenzofuran-1-carboximidamide;toluene
CID 156643232
N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 142451988
N'-(benzenecarboximidoyl)benzenecarboximidamide;5-(9-methyldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 170785636
N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide
CID 145447845
8-(3-dibenzothiophen-3-yldibenzofuran-1-yl)-N'-(naphthalene-2-carboximidoyl)dibenzofuran-1-carboximidamide
CID 156643136
8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-[C-(3-phenylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]dibenzofuran-1-carboximidamide
CID 156643243
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
3-(9-phenylcarbazol-3-yl)-9-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-3-yl]carbazole
CID 163907956
N'-(benzenecarboximidoyl)-3-[5-[9-(4-phenylphenyl)carbazol-2-yl]triphenylen-2-yl]benzenecarboximidamide
CID 145452787
N-[amino(phenyl)methylidene]-9,9-dimethylfluorene-2-carboximidamide;1-(3-methylphenyl)-8-phenanthren-3-yldibenzofuran
CID 145447143
3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole
CID 158968251

Frequently Asked Questions

What is the IUPAC name of 8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene?
The IUPAC name of 8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene (CID 156643264) is 8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene.
What is the SMILES notation for 8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene?
The canonical SMILES for 8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene is Cc1ccccc1.[H]/N=C(/N=C(/N)c1cccc2oc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5oc6ccccc6c45)cc3c12)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene?
The InChIKey is KJHTWBDRLRLCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4O2.C7H8/c51-49(32-23-21-31(22-24-32)30-11-2-1-3-12-30)53-50(52)38-16-10-20-45-48(38)40-27-33(25-26-44(40)55-45)39-28-34(29-46-47(39)37-15-6-9-19-43(37)56-46)54-41-17-7-4-13-35(41)36-14-5-8-18-42(36)54;1-7-5-3-2-4-6-7/h1-29H,(H3,51,52,53);2-6H,1H3.
What are the key properties of 8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene?
8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene has a molecular weight of 812.97 g/mol, XLogP of 14.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene is sourced from PubChem (CID 156643264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).