8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-[C-(3-phenylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]dibenzofuran-1-carboximidamide

C63H42N4OS — CID 156643243

IUPAC8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-[C-(3-phenylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]dibenzofuran-1-carboximidamide
SMILESN/C(=N/C(=N/Cc1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1)c1cccc2oc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5sc6ccccc6c45)cc3c12
InChIInChI=1S/C63H42N4OS/c64-62(66-63(46-23-14-22-44(35-46)42-19-5-2-6-20-42)65-39-40-16-13-21-43(34-40)41-17-3-1-4-18-41)51-27-15-30-57-60(51)53-36-45(32-33-56(53)68-57)52-37-47(38-59-61(52)50-26-9-12-31-58(50)69-59)67-54-28-10-7-24-48(54)49-25-8-11-29-55(49)67/h1-38H,39H2,(H2,64,65,66)
InChIKeyHZMVUBJVOIHUPD-UHFFFAOYSA-N
MW903.12 g/mol
LogP16.40
Rot. Bonds8

About 8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-[C-(3-phenylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]dibenzofuran-1-carboximidamide

8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-[C-(3-phenylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]dibenzofuran-1-carboximidamide (PubChem CID 156643243) has the molecular formula C63H42N4OS and a molecular weight of 903.12 g/mol. Its IUPAC name is 8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-[C-(3-phenylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]dibenzofuran-1-carboximidamide.

Molecular Properties

Compound Name8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-[C-(3-phenylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]dibenzofuran-1-carboximidamide
PubChem CID156643243
Molecular FormulaC63H42N4OS
Molecular Weight903.12 g/mol
Exact Mass902.31
IUPAC Name8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-[C-(3-phenylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]dibenzofuran-1-carboximidamide
SMILESN/C(=N/C(=N/Cc1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1)c1cccc2oc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5sc6ccccc6c45)cc3c12
InChIInChI=1S/C63H42N4OS/c64-62(66-63(46-23-14-22-44(35-46)42-19-5-2-6-20-42)65-39-40-16-13-21-43(34-40)41-17-3-1-4-18-41)51-27-15-30-57-60(51)53-36-45(32-33-56(53)68-57)52-37-47(38-59-61(52)50-26-9-12-31-58(50)69-59)67-54-28-10-7-24-48(54)49-25-8-11-29-55(49)67/h1-38H,39H2,(H2,64,65,66)
InChIKeyHZMVUBJVOIHUPD-UHFFFAOYSA-N
XLogP16.40
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.12
LogP ≤ 516.40
H-Bond Donors ≤ 51
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'-[N-[(8-dibenzothiophen-4-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]dibenzofuran-1-carboximidamide
CID 170145480
8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene
CID 156643264
N-[amino(phenyl)methylidene]-N'-[[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]methyl]-3-phenylbenzenecarboximidamide
CID 170135042
N'-[N-[[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 170136856
N'-[N-(dibenzothiophen-4-ylmethyl)-C-phenylcarbonimidoyl]-4,8-diphenyldibenzofuran-1-carboximidamide
CID 153340749
N-[amino(phenyl)methylidene]-N'-benzyl-4-(3-dibenzofuran-3-ylcarbazol-9-yl)-3-phenylbenzenecarboximidamide
CID 170137005
N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethylidene]-N'-(1-phenylethenyl)dibenzothiophene-1-carboximidamide
CID 118507972
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide
CID 155002394
9-[9-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-3-phenylcarbazole
CID 166913990
N-[(2E)-1-amino-2-[5-[7-[2,5-bis[(1Z)-buta-1,3-dienyl]-3,4-dimethylpyrrol-1-yl]dibenzothiophen-1-yl]-2-methylidene-1-benzofuran-3-ylidene]but-3-enylidene]-N'-benzyl-9-phenylcarbazole-3-carboximidamide
CID 156643527
N'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-9-naphthalen-2-yldibenzofuran-1-carboximidamide
CID 170218964

Frequently Asked Questions

What is the IUPAC name of 8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-[C-(3-phenylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]dibenzofuran-1-carboximidamide?
The IUPAC name of 8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-[C-(3-phenylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]dibenzofuran-1-carboximidamide (CID 156643243) is 8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-[C-(3-phenylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]dibenzofuran-1-carboximidamide.
What is the SMILES notation for 8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-[C-(3-phenylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]dibenzofuran-1-carboximidamide?
The canonical SMILES for 8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-[C-(3-phenylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]dibenzofuran-1-carboximidamide is N/C(=N/C(=N/Cc1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1)c1cccc2oc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5sc6ccccc6c45)cc3c12.
What is the InChIKey of 8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-[C-(3-phenylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]dibenzofuran-1-carboximidamide?
The InChIKey is HZMVUBJVOIHUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N4OS/c64-62(66-63(46-23-14-22-44(35-46)42-19-5-2-6-20-42)65-39-40-16-13-21-43(34-40)41-17-3-1-4-18-41)51-27-15-30-57-60(51)53-36-45(32-33-56(53)68-57)52-37-47(38-59-61(52)50-26-9-12-31-58(50)69-59)67-54-28-10-7-24-48(54)49-25-8-11-29-55(49)67/h1-38H,39H2,(H2,64,65,66).
What are the key properties of 8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-[C-(3-phenylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]dibenzofuran-1-carboximidamide?
8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-[C-(3-phenylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]dibenzofuran-1-carboximidamide has a molecular weight of 903.12 g/mol, XLogP of 16.40, 8 rotatable bonds, 1 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'-[C-(3-phenylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]dibenzofuran-1-carboximidamide is sourced from PubChem (CID 156643243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).