N'-[1-[3-[4-[2-[4-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-3-[(1Z,3Z)-penta-1,3-dienyl]indol-1-yl]phenyl]ethenyl]-N-(1-phenylethylidene)cyclohexa-1,5-diene-1-carboximidamide

C61H51N3 — CID 145322219

IUPACN'-[1-[3-[4-[2-[4-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-3-[(1Z,3Z)-penta-1,3-dienyl]indol-1-yl]phenyl]ethenyl]-N-(1-phenylethylidene)cyclohexa-1,5-diene-1-carboximidamide
SMILESC=C(/N=C(\N=C(/C)c1ccccc1)C1=CCCC=C1)c1cccc(-n2cc(/C=C\C=C/C)c3c(-c4ccccc4-c4ccc(-c5ccccc5-c5ccccc5C)cc4)cccc32)c1
InChIInChI=1S/C61H51N3/c1-5-6-9-27-51-42-64(52-29-20-28-50(41-52)45(4)63-61(49-25-12-8-13-26-49)62-44(3)46-23-10-7-11-24-46)59-36-21-35-58(60(51)59)57-34-19-17-32-55(57)48-39-37-47(38-40-48)54-31-16-18-33-56(54)53-30-15-14-22-43(53)2/h5-7,9-12,14-42H,4,8,13H2,1-3H3/b6-5-,27-9-,62-44+,63-61-
InChIKeyOXNJBMLNKVDCTD-UJHQOUGKSA-N
MW826.10 g/mol
LogP16.35
Rot. Bonds11

About N'-[1-[3-[4-[2-[4-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-3-[(1Z,3Z)-penta-1,3-dienyl]indol-1-yl]phenyl]ethenyl]-N-(1-phenylethylidene)cyclohexa-1,5-diene-1-carboximidamide

N'-[1-[3-[4-[2-[4-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-3-[(1Z,3Z)-penta-1,3-dienyl]indol-1-yl]phenyl]ethenyl]-N-(1-phenylethylidene)cyclohexa-1,5-diene-1-carboximidamide (PubChem CID 145322219) has the molecular formula C61H51N3 and a molecular weight of 826.10 g/mol. Its IUPAC name is N'-[1-[3-[4-[2-[4-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-3-[(1Z,3Z)-penta-1,3-dienyl]indol-1-yl]phenyl]ethenyl]-N-(1-phenylethylidene)cyclohexa-1,5-diene-1-carboximidamide.

Molecular Properties

Compound NameN'-[1-[3-[4-[2-[4-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-3-[(1Z,3Z)-penta-1,3-dienyl]indol-1-yl]phenyl]ethenyl]-N-(1-phenylethylidene)cyclohexa-1,5-diene-1-carboximidamide
PubChem CID145322219
Molecular FormulaC61H51N3
Molecular Weight826.10 g/mol
Exact Mass825.41
IUPAC NameN'-[1-[3-[4-[2-[4-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-3-[(1Z,3Z)-penta-1,3-dienyl]indol-1-yl]phenyl]ethenyl]-N-(1-phenylethylidene)cyclohexa-1,5-diene-1-carboximidamide
SMILESC=C(/N=C(\N=C(/C)c1ccccc1)C1=CCCC=C1)c1cccc(-n2cc(/C=C\C=C/C)c3c(-c4ccccc4-c4ccc(-c5ccccc5-c5ccccc5C)cc4)cccc32)c1
InChIInChI=1S/C61H51N3/c1-5-6-9-27-51-42-64(52-29-20-28-50(41-52)45(4)63-61(49-25-12-8-13-26-49)62-44(3)46-23-10-7-11-24-46)59-36-21-35-58(60(51)59)57-34-19-17-32-55(57)48-39-37-47(38-40-48)54-31-16-18-33-56(54)53-30-15-14-22-43(53)2/h5-7,9-12,14-42H,4,8,13H2,1-3H3/b6-5-,27-9-,62-44+,63-61-
InChIKeyOXNJBMLNKVDCTD-UJHQOUGKSA-N
XLogP16.35
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.10
LogP ≤ 516.35
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-phenylphenyl)ethylidene]-N'-[1-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]cyclohexa-1,5-diene-1-carboximidamide
CID 146384812
N'-(1-phenylethenyl)-N-[1-[(13S)-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,10'-9H-phenanthrene]-16-yl]ethylidene]cyclohexa-1,5-diene-1-carboximidamide
CID 137383672
N'-[1-[3-(3,4-dimethylphenyl)phenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 155691013
N-[1-[6-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3-yl]ethylidene]-N'-(1-phenylethenyl)cyclohexa-1,5-diene-1-carboximidamide
CID 146477853
(1Z,2E)-1-[cyclohexa-1,5-dien-1-yl(phenyl)methylidene]-5-(4-methylphenyl)-2-(1-phenylethylidene)acenaphthylene;ethane;1-methyl-2-(2-methylphenyl)benzene
CID 143532325
ethene;9-(5-ethyl-9H-fluoren-3-yl)-3-[2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]phenyl]-2-methylcarbazole;1-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]ethanimine
CID 145007093
N'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide
CID 170118544
N-[1-[2-[3-(2-ethylbenzimidazol-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]ethylidene]-3-phenyl-N'-[1-(3-phenylphenyl)ethenyl]benzenecarboximidamide
CID 145003113
N'-[1-[8-[4-methyl-3-(2-methylphenyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 144955838
1-cyclohexa-1,5-dien-1-yl-2-[(1Z,3Z)-penta-1,3-dienyl]indole
CID 145348844
N-[(E)-[7-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylidene-1-benzofuran-2-ylidene]-(4-methylphenyl)methyl]-1-phenylethanimine
CID 142551379
N'-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-phenyl-N-[1-[4-[1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexyl]phenyl]ethylidene]benzenecarboximidamide
CID 146384886

Frequently Asked Questions

What is the IUPAC name of N'-[1-[3-[4-[2-[4-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-3-[(1Z,3Z)-penta-1,3-dienyl]indol-1-yl]phenyl]ethenyl]-N-(1-phenylethylidene)cyclohexa-1,5-diene-1-carboximidamide?
The IUPAC name of N'-[1-[3-[4-[2-[4-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-3-[(1Z,3Z)-penta-1,3-dienyl]indol-1-yl]phenyl]ethenyl]-N-(1-phenylethylidene)cyclohexa-1,5-diene-1-carboximidamide (CID 145322219) is N'-[1-[3-[4-[2-[4-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-3-[(1Z,3Z)-penta-1,3-dienyl]indol-1-yl]phenyl]ethenyl]-N-(1-phenylethylidene)cyclohexa-1,5-diene-1-carboximidamide.
What is the SMILES notation for N'-[1-[3-[4-[2-[4-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-3-[(1Z,3Z)-penta-1,3-dienyl]indol-1-yl]phenyl]ethenyl]-N-(1-phenylethylidene)cyclohexa-1,5-diene-1-carboximidamide?
The canonical SMILES for N'-[1-[3-[4-[2-[4-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-3-[(1Z,3Z)-penta-1,3-dienyl]indol-1-yl]phenyl]ethenyl]-N-(1-phenylethylidene)cyclohexa-1,5-diene-1-carboximidamide is C=C(/N=C(\N=C(/C)c1ccccc1)C1=CCCC=C1)c1cccc(-n2cc(/C=C\C=C/C)c3c(-c4ccccc4-c4ccc(-c5ccccc5-c5ccccc5C)cc4)cccc32)c1.
What is the InChIKey of N'-[1-[3-[4-[2-[4-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-3-[(1Z,3Z)-penta-1,3-dienyl]indol-1-yl]phenyl]ethenyl]-N-(1-phenylethylidene)cyclohexa-1,5-diene-1-carboximidamide?
The InChIKey is OXNJBMLNKVDCTD-UJHQOUGKSA-N. The full InChI is InChI=1S/C61H51N3/c1-5-6-9-27-51-42-64(52-29-20-28-50(41-52)45(4)63-61(49-25-12-8-13-26-49)62-44(3)46-23-10-7-11-24-46)59-36-21-35-58(60(51)59)57-34-19-17-32-55(57)48-39-37-47(38-40-48)54-31-16-18-33-56(54)53-30-15-14-22-43(53)2/h5-7,9-12,14-42H,4,8,13H2,1-3H3/b6-5-,27-9-,62-44+,63-61-.
What are the key properties of N'-[1-[3-[4-[2-[4-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-3-[(1Z,3Z)-penta-1,3-dienyl]indol-1-yl]phenyl]ethenyl]-N-(1-phenylethylidene)cyclohexa-1,5-diene-1-carboximidamide?
N'-[1-[3-[4-[2-[4-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-3-[(1Z,3Z)-penta-1,3-dienyl]indol-1-yl]phenyl]ethenyl]-N-(1-phenylethylidene)cyclohexa-1,5-diene-1-carboximidamide has a molecular weight of 826.10 g/mol, XLogP of 16.35, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[3-[4-[2-[4-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-3-[(1Z,3Z)-penta-1,3-dienyl]indol-1-yl]phenyl]ethenyl]-N-(1-phenylethylidene)cyclohexa-1,5-diene-1-carboximidamide is sourced from PubChem (CID 145322219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).