N-[(1Z)-3-[4-[4-[1-[[cyclohex-2-en-1-yl-(3'-methylspiro[fluorene-9,1'-indene]-2'-yl)methylidene]amino]ethenyl]phenyl]phenyl]-1-phenylbuta-1,3-dienyl]-1-phenylethanimine

C61H50N2 — CID 129084787

IUPACN-[(1Z)-3-[4-[4-[1-[[cyclohex-2-en-1-yl-(3'-methylspiro[fluorene-9,1'-indene]-2'-yl)methylidene]amino]ethenyl]phenyl]phenyl]-1-phenylbuta-1,3-dienyl]-1-phenylethanimine
SMILESC=C(/C=C(\N=C(/C)c1ccccc1)c1ccccc1)c1ccc(-c2ccc(C(=C)/N=C(/C3=C(C)c4ccccc4C34c3ccccc3-c3ccccc34)C3C=CCCC3)cc2)cc1
InChIInChI=1S/C61H50N2/c1-41(40-58(50-22-10-6-11-23-50)62-43(3)46-20-8-5-9-21-46)45-32-36-48(37-33-45)49-38-34-47(35-39-49)44(4)63-60(51-24-12-7-13-25-51)59-42(2)52-26-14-17-29-55(52)61(59)56-30-18-15-27-53(56)54-28-16-19-31-57(54)61/h5-6,8-12,14-24,26-40,51H,1,4,7,13,25H2,2-3H3/b58-40-,62-43+,63-60+
InChIKeyFQGAYLOQJBUVDX-OPNNWFJXSA-N
MW811.09 g/mol
LogP15.49
Rot. Bonds10

About N-[(1Z)-3-[4-[4-[1-[[cyclohex-2-en-1-yl-(3'-methylspiro[fluorene-9,1'-indene]-2'-yl)methylidene]amino]ethenyl]phenyl]phenyl]-1-phenylbuta-1,3-dienyl]-1-phenylethanimine

N-[(1Z)-3-[4-[4-[1-[[cyclohex-2-en-1-yl-(3'-methylspiro[fluorene-9,1'-indene]-2'-yl)methylidene]amino]ethenyl]phenyl]phenyl]-1-phenylbuta-1,3-dienyl]-1-phenylethanimine (PubChem CID 129084787) has the molecular formula C61H50N2 and a molecular weight of 811.09 g/mol. Its IUPAC name is N-[(1Z)-3-[4-[4-[1-[[cyclohex-2-en-1-yl-(3'-methylspiro[fluorene-9,1'-indene]-2'-yl)methylidene]amino]ethenyl]phenyl]phenyl]-1-phenylbuta-1,3-dienyl]-1-phenylethanimine.

Molecular Properties

Compound NameN-[(1Z)-3-[4-[4-[1-[[cyclohex-2-en-1-yl-(3'-methylspiro[fluorene-9,1'-indene]-2'-yl)methylidene]amino]ethenyl]phenyl]phenyl]-1-phenylbuta-1,3-dienyl]-1-phenylethanimine
PubChem CID129084787
Molecular FormulaC61H50N2
Molecular Weight811.09 g/mol
Exact Mass810.40
IUPAC NameN-[(1Z)-3-[4-[4-[1-[[cyclohex-2-en-1-yl-(3'-methylspiro[fluorene-9,1'-indene]-2'-yl)methylidene]amino]ethenyl]phenyl]phenyl]-1-phenylbuta-1,3-dienyl]-1-phenylethanimine
SMILESC=C(/C=C(\N=C(/C)c1ccccc1)c1ccccc1)c1ccc(-c2ccc(C(=C)/N=C(/C3=C(C)c4ccccc4C34c3ccccc3-c3ccccc34)C3C=CCCC3)cc2)cc1
InChIInChI=1S/C61H50N2/c1-41(40-58(50-22-10-6-11-23-50)62-43(3)46-20-8-5-9-21-46)45-32-36-48(37-33-45)49-38-34-47(35-39-49)44(4)63-60(51-24-12-7-13-25-51)59-42(2)52-26-14-17-29-55(52)61(59)56-30-18-15-27-53(56)54-28-16-19-31-57(54)61/h5-6,8-12,14-24,26-40,51H,1,4,7,13,25H2,2-3H3/b58-40-,62-43+,63-60+
InChIKeyFQGAYLOQJBUVDX-OPNNWFJXSA-N
XLogP15.49
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.09
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(1Z)-3-[4-[4-[1-[[cyclohex-2-en-1-yl-(3'-methylspiro[fluorene-9,1'-indene]-2'-yl)methylidene]amino]ethenyl]phenyl]phenyl]-1-phenylbuta-1,3-dienyl]-1-phenylethanimine with MolForge

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Related Compounds

1-[3-(4-methylphenyl)phenyl]-N-[(1Z)-3-(4-methylphenyl)-1-phenylbuta-1,3-dienyl]ethanimine
CID 144588515
1-[3-phenyl-5-(4-phenylphenyl)phenyl]-N-[(1Z)-1-phenyl-3-[3-phenyl-5-(4-phenylphenyl)phenyl]buta-1,3-dienyl]ethanimine
CID 130292214
N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-1-[4-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-ethylphenyl)-2-methylphenyl]phenyl]ethanimine
CID 163569391
4-dibenzothiophen-1-yl-N-(1-phenylethylidene)-N'-[1-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]ethenyl]benzenecarboximidamide
CID 163992716
N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-1-[4-[4-[3-(2-ethylphenyl)-4-methylsulfanylphenyl]phenoxy]phenyl]ethanimine
CID 146506301
1-cyclohex-2-en-1-ylprop-1-enylbenzene
CID 123727649
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
N-[(1Z)-3-[3-[5-methyl-4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-5-(3-phenylphenyl)phenyl]-1-phenylbuta-1,3-dienyl]-1-phenylethanimine
CID 144969058
N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-1-[3-[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,6'-indeno[2,1-g][1]benzofuran]-1-yl]phenyl]ethanimine
CID 155112395
N-[(1Z)-1-[4-[1-[4-[2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-1,2-dihydropyrimidin-6-yl]phenyl]-1-phenylethyl]phenyl]-3-(5-phenylcyclohepta-1,4,6-trien-1-yl)buta-1,3-dienyl]-1-phenylethanimine
CID 146384896
N'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide
CID 170118544
1-(9,9-diphenylfluoren-4-yl)-N-(1-phenylethenyl)ethanimine
CID 178165620

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-3-[4-[4-[1-[[cyclohex-2-en-1-yl-(3'-methylspiro[fluorene-9,1'-indene]-2'-yl)methylidene]amino]ethenyl]phenyl]phenyl]-1-phenylbuta-1,3-dienyl]-1-phenylethanimine?
The IUPAC name of N-[(1Z)-3-[4-[4-[1-[[cyclohex-2-en-1-yl-(3'-methylspiro[fluorene-9,1'-indene]-2'-yl)methylidene]amino]ethenyl]phenyl]phenyl]-1-phenylbuta-1,3-dienyl]-1-phenylethanimine (CID 129084787) is N-[(1Z)-3-[4-[4-[1-[[cyclohex-2-en-1-yl-(3'-methylspiro[fluorene-9,1'-indene]-2'-yl)methylidene]amino]ethenyl]phenyl]phenyl]-1-phenylbuta-1,3-dienyl]-1-phenylethanimine.
What is the SMILES notation for N-[(1Z)-3-[4-[4-[1-[[cyclohex-2-en-1-yl-(3'-methylspiro[fluorene-9,1'-indene]-2'-yl)methylidene]amino]ethenyl]phenyl]phenyl]-1-phenylbuta-1,3-dienyl]-1-phenylethanimine?
The canonical SMILES for N-[(1Z)-3-[4-[4-[1-[[cyclohex-2-en-1-yl-(3'-methylspiro[fluorene-9,1'-indene]-2'-yl)methylidene]amino]ethenyl]phenyl]phenyl]-1-phenylbuta-1,3-dienyl]-1-phenylethanimine is C=C(/C=C(\N=C(/C)c1ccccc1)c1ccccc1)c1ccc(-c2ccc(C(=C)/N=C(/C3=C(C)c4ccccc4C34c3ccccc3-c3ccccc34)C3C=CCCC3)cc2)cc1.
What is the InChIKey of N-[(1Z)-3-[4-[4-[1-[[cyclohex-2-en-1-yl-(3'-methylspiro[fluorene-9,1'-indene]-2'-yl)methylidene]amino]ethenyl]phenyl]phenyl]-1-phenylbuta-1,3-dienyl]-1-phenylethanimine?
The InChIKey is FQGAYLOQJBUVDX-OPNNWFJXSA-N. The full InChI is InChI=1S/C61H50N2/c1-41(40-58(50-22-10-6-11-23-50)62-43(3)46-20-8-5-9-21-46)45-32-36-48(37-33-45)49-38-34-47(35-39-49)44(4)63-60(51-24-12-7-13-25-51)59-42(2)52-26-14-17-29-55(52)61(59)56-30-18-15-27-53(56)54-28-16-19-31-57(54)61/h5-6,8-12,14-24,26-40,51H,1,4,7,13,25H2,2-3H3/b58-40-,62-43+,63-60+.
What are the key properties of N-[(1Z)-3-[4-[4-[1-[[cyclohex-2-en-1-yl-(3'-methylspiro[fluorene-9,1'-indene]-2'-yl)methylidene]amino]ethenyl]phenyl]phenyl]-1-phenylbuta-1,3-dienyl]-1-phenylethanimine?
N-[(1Z)-3-[4-[4-[1-[[cyclohex-2-en-1-yl-(3'-methylspiro[fluorene-9,1'-indene]-2'-yl)methylidene]amino]ethenyl]phenyl]phenyl]-1-phenylbuta-1,3-dienyl]-1-phenylethanimine has a molecular weight of 811.09 g/mol, XLogP of 15.49, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-3-[4-[4-[1-[[cyclohex-2-en-1-yl-(3'-methylspiro[fluorene-9,1'-indene]-2'-yl)methylidene]amino]ethenyl]phenyl]phenyl]-1-phenylbuta-1,3-dienyl]-1-phenylethanimine is sourced from PubChem (CID 129084787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).