3-ethenyl-2-(3-methyl-1-phenylindol-2-yl)-N'-[C-phenyl-N-[[8-(2-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methyl]carbonimidoyl]indole-1-carboximidamide

C64H45N5OS — CID 156643183

IUPAC3-ethenyl-2-(3-methyl-1-phenylindol-2-yl)-N'-[C-phenyl-N-[[8-(2-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methyl]carbonimidoyl]indole-1-carboximidamide
SMILESC=Cc1c(-c2c(C)c3ccccc3n2-c2ccccc2)n(/C(N)=N/C(=N\Cc2cccc3oc4ccc(-c5c(-c6ccccc6)ccc6sc7ccccc7c56)cc4c23)c2ccccc2)c2ccccc12
InChIInChI=1S/C64H45N5OS/c1-3-46-49-28-14-17-31-53(49)69(62(46)61-40(2)47-27-13-16-30-52(47)68(61)45-25-11-6-12-26-45)64(65)67-63(42-22-9-5-10-23-42)66-39-44-24-19-32-55-58(44)51-38-43(34-36-54(51)70-55)59-48(41-20-7-4-8-21-41)35-37-57-60(59)50-29-15-18-33-56(50)71-57/h3-38H,1,39H2,2H3,(H2,65,66,67)
InChIKeyQUDKIGXQSCCFKQ-UHFFFAOYSA-N
MW932.17 g/mol
LogP16.61
Rot. Bonds8

About 3-ethenyl-2-(3-methyl-1-phenylindol-2-yl)-N'-[C-phenyl-N-[[8-(2-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methyl]carbonimidoyl]indole-1-carboximidamide

3-ethenyl-2-(3-methyl-1-phenylindol-2-yl)-N'-[C-phenyl-N-[[8-(2-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methyl]carbonimidoyl]indole-1-carboximidamide (PubChem CID 156643183) has the molecular formula C64H45N5OS and a molecular weight of 932.17 g/mol. Its IUPAC name is 3-ethenyl-2-(3-methyl-1-phenylindol-2-yl)-N'-[C-phenyl-N-[[8-(2-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methyl]carbonimidoyl]indole-1-carboximidamide.

Molecular Properties

Compound Name3-ethenyl-2-(3-methyl-1-phenylindol-2-yl)-N'-[C-phenyl-N-[[8-(2-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methyl]carbonimidoyl]indole-1-carboximidamide
PubChem CID156643183
Molecular FormulaC64H45N5OS
Molecular Weight932.17 g/mol
Exact Mass931.33
IUPAC Name3-ethenyl-2-(3-methyl-1-phenylindol-2-yl)-N'-[C-phenyl-N-[[8-(2-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methyl]carbonimidoyl]indole-1-carboximidamide
SMILESC=Cc1c(-c2c(C)c3ccccc3n2-c2ccccc2)n(/C(N)=N/C(=N\Cc2cccc3oc4ccc(-c5c(-c6ccccc6)ccc6sc7ccccc7c56)cc4c23)c2ccccc2)c2ccccc12
InChIInChI=1S/C64H45N5OS/c1-3-46-49-28-14-17-31-53(49)69(62(46)61-40(2)47-27-13-16-30-52(47)68(61)45-25-11-6-12-26-45)64(65)67-63(42-22-9-5-10-23-42)66-39-44-24-19-32-55-58(44)51-38-43(34-36-54(51)70-55)59-48(41-20-7-4-8-21-41)35-37-57-60(59)50-29-15-18-33-56(50)71-57/h3-38H,1,39H2,2H3,(H2,65,66,67)
InChIKeyQUDKIGXQSCCFKQ-UHFFFAOYSA-N
XLogP16.61
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.17
LogP ≤ 516.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indole_3yl_alk_B(1)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[N-[[8-(6-carbazol-9-yldibenzothiophen-1-yl)dibenzofuran-1-yl]methyl]-C-[(3E)-hexa-1,3,5-trien-3-yl]carbonimidoyl]-9-phenylcarbazole-3-carboximidamide
CID 156643151
N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethylidene]-N'-(1-phenylethenyl)dibenzothiophene-1-carboximidamide
CID 118507972
N'-[N-(dibenzothiophen-4-ylmethyl)-C-phenylcarbonimidoyl]-4,8-diphenyldibenzofuran-1-carboximidamide
CID 153340749
N'-[N-[(8-dibenzothiophen-4-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]dibenzofuran-1-carboximidamide
CID 170145480
8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-[C-(3-phenylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]dibenzofuran-1-carboximidamide
CID 156643243
N-methylidene-N'-[[8-[2-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methyl]dibenzofuran-2-carboximidamide
CID 145447260
3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole;3-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole;3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;2,4-diphenyl-6-[8-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-(9,9'-spirobi[fluorene]-4'-yl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 160893778
N-[amino(phenyl)methylidene]-N'-[[2-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]methyl]-4-phenylbenzenecarboximidamide
CID 170131255
3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 129291947
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
3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole
CID 90265537
3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
CID 118507992

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-(3-methyl-1-phenylindol-2-yl)-N'-[C-phenyl-N-[[8-(2-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methyl]carbonimidoyl]indole-1-carboximidamide?
The IUPAC name of 3-ethenyl-2-(3-methyl-1-phenylindol-2-yl)-N'-[C-phenyl-N-[[8-(2-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methyl]carbonimidoyl]indole-1-carboximidamide (CID 156643183) is 3-ethenyl-2-(3-methyl-1-phenylindol-2-yl)-N'-[C-phenyl-N-[[8-(2-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methyl]carbonimidoyl]indole-1-carboximidamide.
What is the SMILES notation for 3-ethenyl-2-(3-methyl-1-phenylindol-2-yl)-N'-[C-phenyl-N-[[8-(2-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methyl]carbonimidoyl]indole-1-carboximidamide?
The canonical SMILES for 3-ethenyl-2-(3-methyl-1-phenylindol-2-yl)-N'-[C-phenyl-N-[[8-(2-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methyl]carbonimidoyl]indole-1-carboximidamide is C=Cc1c(-c2c(C)c3ccccc3n2-c2ccccc2)n(/C(N)=N/C(=N\Cc2cccc3oc4ccc(-c5c(-c6ccccc6)ccc6sc7ccccc7c56)cc4c23)c2ccccc2)c2ccccc12.
What is the InChIKey of 3-ethenyl-2-(3-methyl-1-phenylindol-2-yl)-N'-[C-phenyl-N-[[8-(2-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methyl]carbonimidoyl]indole-1-carboximidamide?
The InChIKey is QUDKIGXQSCCFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N5OS/c1-3-46-49-28-14-17-31-53(49)69(62(46)61-40(2)47-27-13-16-30-52(47)68(61)45-25-11-6-12-26-45)64(65)67-63(42-22-9-5-10-23-42)66-39-44-24-19-32-55-58(44)51-38-43(34-36-54(51)70-55)59-48(41-20-7-4-8-21-41)35-37-57-60(59)50-29-15-18-33-56(50)71-57/h3-38H,1,39H2,2H3,(H2,65,66,67).
What are the key properties of 3-ethenyl-2-(3-methyl-1-phenylindol-2-yl)-N'-[C-phenyl-N-[[8-(2-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methyl]carbonimidoyl]indole-1-carboximidamide?
3-ethenyl-2-(3-methyl-1-phenylindol-2-yl)-N'-[C-phenyl-N-[[8-(2-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methyl]carbonimidoyl]indole-1-carboximidamide has a molecular weight of 932.17 g/mol, XLogP of 16.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-(3-methyl-1-phenylindol-2-yl)-N'-[C-phenyl-N-[[8-(2-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methyl]carbonimidoyl]indole-1-carboximidamide is sourced from PubChem (CID 156643183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).