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

C62H53N5 — CID 146384886

IUPACN'-(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
SMILESC=C(/N=C(/N=C(\C)c1ccc(C2(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)CCCCC2)cc1)c1ccc(-c2ccccc2)cc1)C1=CCCC=C1
InChIInChI=1S/C62H53N5/c1-44(46-18-8-3-9-19-46)63-58(53-30-26-50(27-31-53)48-20-10-4-11-21-48)64-45(2)47-34-38-56(39-35-47)62(42-16-7-17-43-62)57-40-36-55(37-41-57)61-66-59(52-24-14-6-15-25-52)65-60(67-61)54-32-28-51(29-33-54)49-22-12-5-13-23-49/h4-6,8,10-15,18-41H,1,3,7,9,16-17,42-43H2,2H3/b63-58+,64-45+
InChIKeyDYULNIMNTOMWMZ-HXUYKBIASA-N
MW868.14 g/mol
LogP15.50
Rot. Bonds11

About 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

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 (PubChem CID 146384886) has the molecular formula C62H53N5 and a molecular weight of 868.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN'-(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
PubChem CID146384886
Molecular FormulaC62H53N5
Molecular Weight868.14 g/mol
Exact Mass867.43
IUPAC NameN'-(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
SMILESC=C(/N=C(/N=C(\C)c1ccc(C2(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)CCCCC2)cc1)c1ccc(-c2ccccc2)cc1)C1=CCCC=C1
InChIInChI=1S/C62H53N5/c1-44(46-18-8-3-9-19-46)63-58(53-30-26-50(27-31-53)48-20-10-4-11-21-48)64-45(2)47-34-38-56(39-35-47)62(42-16-7-17-43-62)57-40-36-55(37-41-57)61-66-59(52-24-14-6-15-25-52)65-60(67-61)54-32-28-51(29-33-54)49-22-12-5-13-23-49/h4-6,8,10-15,18-41H,1,3,7,9,16-17,42-43H2,2H3/b63-58+,64-45+
InChIKeyDYULNIMNTOMWMZ-HXUYKBIASA-N
XLogP15.50
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.14
LogP ≤ 515.50
H-Bond Donors ≤ 50
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

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-[4-[1-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]-N-(1-naphthalen-1-ylethylidene)cyclohexa-1,5-diene-1-carboximidamide
CID 146384821
N-[(Z)-1-[4-[1-[4-(2-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]-3-phenylprop-1-enyl]-1-phenylethanimine
CID 146384889
2,4-diphenyl-6-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine
CID 121315417
2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydronaphthalen-1-yl)phenyl]cyclohexyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 146384834
N'-[(3E)-hexa-1,3,5-trien-3-yl]-4-[1-[4-methyl-4-(4-phenylquinazolin-2-yl)cyclohexa-1,5-dien-1-yl]cyclohexyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 145073473
2-naphthalen-2-yl-4-phenyl-6-[4-[1-(4-phenylphenyl)cyclohexyl]phenyl]-1,3,5-triazine
CID 121315528
2,4-diphenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine
CID 130392322
2-naphthalen-2-yl-4-[4-[1-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
CID 130392354
(E)-3-cyclohexa-1,5-dien-1-yl-3-[4-[1-[4-[(2Z)-hepta-2,6-dienyl]phenyl]cyclohexyl]phenyl]-N-methyl-1-phenylprop-2-en-1-imine;ethane
CID 145073450
2-[4-[1-[4-(3-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176628725
2-[4-[1-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]cyclohexyl]phenyl]-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-[(3E)-hexa-1,3,5-trien-3-yl]pyrimidine
CID 146384950

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(/N=C(/N=C(\C)c1ccc(C2(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)CCCCC2)cc1)c1ccc(-c2ccccc2)cc1)C1=CCCC=C1.
What is the InChIKey of 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?
The InChIKey is DYULNIMNTOMWMZ-HXUYKBIASA-N. The full InChI is InChI=1S/C62H53N5/c1-44(46-18-8-3-9-19-46)63-58(53-30-26-50(27-31-53)48-20-10-4-11-21-48)64-45(2)47-34-38-56(39-35-47)62(42-16-7-17-43-62)57-40-36-55(37-41-57)61-66-59(52-24-14-6-15-25-52)65-60(67-61)54-32-28-51(29-33-54)49-22-12-5-13-23-49/h4-6,8,10-15,18-41H,1,3,7,9,16-17,42-43H2,2H3/b63-58+,64-45+.
What are the key properties of 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?
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 has a molecular weight of 868.14 g/mol, XLogP of 15.50, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146384886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).