8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-(naphthalene-2-carboximidoyl)dibenzofuran-1-carboximidamide;toluene

C55H38N4OS — CID 156643232

IUPAC8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-(naphthalene-2-carboximidoyl)dibenzofuran-1-carboximidamide;toluene
SMILESCc1ccccc1.[H]/N=C(/N=C(/N)c1cccc2oc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5sc6ccccc6c45)cc3c12)c1ccc2ccccc2c1
InChIInChI=1S/C48H30N4OS.C7H8/c49-47(31-21-20-28-10-1-2-11-29(28)24-31)51-48(50)36-15-9-18-42-45(36)38-25-30(22-23-41(38)53-42)37-26-32(27-44-46(37)35-14-5-8-19-43(35)54-44)52-39-16-6-3-12-33(39)34-13-4-7-17-40(34)52;1-7-5-3-2-4-6-7/h1-27H,(H3,49,50,51);2-6H,1H3
InChIKeyVYKXAIFXFMTNSO-UHFFFAOYSA-N
MW803.00 g/mol
LogP14.60
Rot. Bonds4

About 8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-(naphthalene-2-carboximidoyl)dibenzofuran-1-carboximidamide;toluene

8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-(naphthalene-2-carboximidoyl)dibenzofuran-1-carboximidamide;toluene (PubChem CID 156643232) has the molecular formula C55H38N4OS and a molecular weight of 803.00 g/mol. Its IUPAC name is 8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-(naphthalene-2-carboximidoyl)dibenzofuran-1-carboximidamide;toluene.

Molecular Properties

Compound Name8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-(naphthalene-2-carboximidoyl)dibenzofuran-1-carboximidamide;toluene
PubChem CID156643232
Molecular FormulaC55H38N4OS
Molecular Weight803.00 g/mol
Exact Mass802.28
IUPAC Name8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-(naphthalene-2-carboximidoyl)dibenzofuran-1-carboximidamide;toluene
SMILESCc1ccccc1.[H]/N=C(/N=C(/N)c1cccc2oc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5sc6ccccc6c45)cc3c12)c1ccc2ccccc2c1
InChIInChI=1S/C48H30N4OS.C7H8/c49-47(31-21-20-28-10-1-2-11-29(28)24-31)51-48(50)36-15-9-18-42-45(36)38-25-30(22-23-41(38)53-42)37-26-32(27-44-46(37)35-14-5-8-19-43(35)54-44)52-39-16-6-3-12-33(39)34-13-4-7-17-40(34)52;1-7-5-3-2-4-6-7/h1-27H,(H3,49,50,51);2-6H,1H3
InChIKeyVYKXAIFXFMTNSO-UHFFFAOYSA-N
XLogP14.60
TPSA80.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.00
LogP ≤ 514.60
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-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene
CID 156643264
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'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 142451988
N-[1-benzothiophen-2-yl(phenyl)methylidene]-8-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-carboximidamide
CID 158099162
5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazole
CID 161186460
N-[amino(phenyl)methylidene]-9,9-dimethylfluorene-2-carboximidamide;1-(3-methylphenyl)-8-phenanthren-3-yldibenzofuran
CID 145447143
N-[amino(phenyl)methylidene]-3-(2-dibenzothiophen-4-ylcarbazol-9-yl)benzenecarboximidamide
CID 170131493
5-[4-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167043585
9,9-dimethyl-N'-[4-(8-phenanthren-9-yldibenzofuran-1-yl)benzenecarboximidoyl]fluorene-4-carboximidamide
CID 145447662
N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethylidene]-N'-(1-phenylethenyl)dibenzothiophene-1-carboximidamide
CID 118507972
N-[amino-(4-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene
CID 145313054

Frequently Asked Questions

What is the IUPAC name of 8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-(naphthalene-2-carboximidoyl)dibenzofuran-1-carboximidamide;toluene?
The IUPAC name of 8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-(naphthalene-2-carboximidoyl)dibenzofuran-1-carboximidamide;toluene (CID 156643232) is 8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-(naphthalene-2-carboximidoyl)dibenzofuran-1-carboximidamide;toluene.
What is the SMILES notation for 8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-(naphthalene-2-carboximidoyl)dibenzofuran-1-carboximidamide;toluene?
The canonical SMILES for 8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-(naphthalene-2-carboximidoyl)dibenzofuran-1-carboximidamide;toluene is Cc1ccccc1.[H]/N=C(/N=C(/N)c1cccc2oc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5sc6ccccc6c45)cc3c12)c1ccc2ccccc2c1.
What is the InChIKey of 8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-(naphthalene-2-carboximidoyl)dibenzofuran-1-carboximidamide;toluene?
The InChIKey is VYKXAIFXFMTNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4OS.C7H8/c49-47(31-21-20-28-10-1-2-11-29(28)24-31)51-48(50)36-15-9-18-42-45(36)38-25-30(22-23-41(38)53-42)37-26-32(27-44-46(37)35-14-5-8-19-43(35)54-44)52-39-16-6-3-12-33(39)34-13-4-7-17-40(34)52;1-7-5-3-2-4-6-7/h1-27H,(H3,49,50,51);2-6H,1H3.
What are the key properties of 8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-(naphthalene-2-carboximidoyl)dibenzofuran-1-carboximidamide;toluene?
8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-(naphthalene-2-carboximidoyl)dibenzofuran-1-carboximidamide;toluene has a molecular weight of 803.00 g/mol, XLogP of 14.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-(naphthalene-2-carboximidoyl)dibenzofuran-1-carboximidamide;toluene is sourced from PubChem (CID 156643232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).