N'-[1-(8-methyldibenzothiophen-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide;4-methyl-9H-fluorene;1-methyl-4-phenylbenzene

C57H48N2S — CID 145007171

IUPACN'-[1-(8-methyldibenzothiophen-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide;4-methyl-9H-fluorene;1-methyl-4-phenylbenzene
SMILESC=C(/N=C(\N=C(/C)c1ccccc1)c1ccccc1)c1cccc2sc3ccc(C)cc3c12.Cc1ccc(-c2ccccc2)cc1.Cc1cccc2c1-c1ccccc1C2
InChIInChI=1S/C30H24N2S.C14H12.C13H12/c1-20-17-18-27-26(19-20)29-25(15-10-16-28(29)33-27)22(3)32-30(24-13-8-5-9-14-24)31-21(2)23-11-6-4-7-12-23;1-10-5-4-7-12-9-11-6-2-3-8-13(11)14(10)12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h4-19H,3H2,1-2H3;2-8H,9H2,1H3;2-10H,1H3/b31-21+,32-30-;;
InChIKeyZQZQCZDPJOMERX-DCGHPHKESA-N
MW793.09 g/mol
LogP15.52
Rot. Bonds5

About N'-[1-(8-methyldibenzothiophen-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide;4-methyl-9H-fluorene;1-methyl-4-phenylbenzene

N'-[1-(8-methyldibenzothiophen-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide;4-methyl-9H-fluorene;1-methyl-4-phenylbenzene (PubChem CID 145007171) has the molecular formula C57H48N2S and a molecular weight of 793.09 g/mol. Its IUPAC name is N'-[1-(8-methyldibenzothiophen-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide;4-methyl-9H-fluorene;1-methyl-4-phenylbenzene.

Molecular Properties

Compound NameN'-[1-(8-methyldibenzothiophen-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide;4-methyl-9H-fluorene;1-methyl-4-phenylbenzene
PubChem CID145007171
Molecular FormulaC57H48N2S
Molecular Weight793.09 g/mol
Exact Mass792.35
IUPAC NameN'-[1-(8-methyldibenzothiophen-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide;4-methyl-9H-fluorene;1-methyl-4-phenylbenzene
SMILESC=C(/N=C(\N=C(/C)c1ccccc1)c1ccccc1)c1cccc2sc3ccc(C)cc3c12.Cc1ccc(-c2ccccc2)cc1.Cc1cccc2c1-c1ccccc1C2
InChIInChI=1S/C30H24N2S.C14H12.C13H12/c1-20-17-18-27-26(19-20)29-25(15-10-16-28(29)33-27)22(3)32-30(24-13-8-5-9-14-24)31-21(2)23-11-6-4-7-12-23;1-10-5-4-7-12-9-11-6-2-3-8-13(11)14(10)12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h4-19H,3H2,1-2H3;2-8H,9H2,1H3;2-10H,1H3/b31-21+,32-30-;;
InChIKeyZQZQCZDPJOMERX-DCGHPHKESA-N
XLogP15.52
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.09
LogP ≤ 515.52
H-Bond Donors ≤ 50
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'-[1-(3-dibenzothiophen-1-ylphenyl)ethenyl]-N-[1-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]ethylidene]benzenecarboximidamide
CID 163620186
N'-[1-(8-methyldibenzofuran-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 145007215
N-(1-dibenzofuran-3-ylethylidene)-N'-(1-phenylethenyl)-8-(3-phenylphenyl)dibenzothiophene-1-carboximidamide
CID 163590140
4-dibenzothiophen-1-yl-N-(1-phenylethylidene)-N'-[1-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]ethenyl]benzenecarboximidamide
CID 163992716
N'-[1-[3-(3,4-dimethylphenyl)phenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 155691013
N-(1-pyridin-4-ylethylidene)-N'-[1-[2-(3-triphenylen-2-ylphenyl)phenyl]ethenyl]pyridine-4-carboximidamide
CID 166022897
N-[1-(4-naphtho[1,2-b][1]benzothiol-7-ylnaphthalen-1-yl)ethylidene]-N'-(1-phenylethenyl)benzenecarboximidamide
CID 163557727
N'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide
CID 170118544
N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-1-[2-[5-[8-[3-[2-[N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-C-methylcarbonimidoyl]-6-methylphenyl]-4-methylphenyl]dibenzothiophen-2-yl]-2-methylphenyl]-3-methylphenyl]ethanimine
CID 139418446
3-methyl-5-prop-1-en-2-yl-9H-fluorene
CID 145007105
N'-(1-phenylethenyl)-N-[1-(9-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)ethylidene]benzenecarboximidamide
CID 170153892
N-methylidene-6-(4-methylphenyl)-N'-(1-phenylethenyl)-9H-fluorene-3-carboximidamide
CID 145108666

Frequently Asked Questions

What is the IUPAC name of N'-[1-(8-methyldibenzothiophen-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide;4-methyl-9H-fluorene;1-methyl-4-phenylbenzene?
The IUPAC name of N'-[1-(8-methyldibenzothiophen-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide;4-methyl-9H-fluorene;1-methyl-4-phenylbenzene (CID 145007171) is N'-[1-(8-methyldibenzothiophen-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide;4-methyl-9H-fluorene;1-methyl-4-phenylbenzene.
What is the SMILES notation for N'-[1-(8-methyldibenzothiophen-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide;4-methyl-9H-fluorene;1-methyl-4-phenylbenzene?
The canonical SMILES for N'-[1-(8-methyldibenzothiophen-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide;4-methyl-9H-fluorene;1-methyl-4-phenylbenzene is C=C(/N=C(\N=C(/C)c1ccccc1)c1ccccc1)c1cccc2sc3ccc(C)cc3c12.Cc1ccc(-c2ccccc2)cc1.Cc1cccc2c1-c1ccccc1C2.
What is the InChIKey of N'-[1-(8-methyldibenzothiophen-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide;4-methyl-9H-fluorene;1-methyl-4-phenylbenzene?
The InChIKey is ZQZQCZDPJOMERX-DCGHPHKESA-N. The full InChI is InChI=1S/C30H24N2S.C14H12.C13H12/c1-20-17-18-27-26(19-20)29-25(15-10-16-28(29)33-27)22(3)32-30(24-13-8-5-9-14-24)31-21(2)23-11-6-4-7-12-23;1-10-5-4-7-12-9-11-6-2-3-8-13(11)14(10)12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h4-19H,3H2,1-2H3;2-8H,9H2,1H3;2-10H,1H3/b31-21+,32-30-;;.
What are the key properties of N'-[1-(8-methyldibenzothiophen-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide;4-methyl-9H-fluorene;1-methyl-4-phenylbenzene?
N'-[1-(8-methyldibenzothiophen-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide;4-methyl-9H-fluorene;1-methyl-4-phenylbenzene has a molecular weight of 793.09 g/mol, XLogP of 15.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(8-methyldibenzothiophen-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide;4-methyl-9H-fluorene;1-methyl-4-phenylbenzene is sourced from PubChem (CID 145007171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).