(Z)-1,4-diphenylbut-2-en-1-imine;ethane;1-methyl-2-phenylpyrrole

C29H32N2 — CID 145387103

IUPAC(Z)-1,4-diphenylbut-2-en-1-imine;ethane;1-methyl-2-phenylpyrrole
SMILESCC.Cn1cccc1-c1ccccc1.[H]/N=C(\C=C/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H15N.C11H11N.C2H6/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14;1-12-9-5-8-11(12)10-6-3-2-4-7-10;1-2/h1-9,11-13,17H,10H2;2-9H,1H3;1-2H3/b13-7-,17-16+;;
InChIKeyWPLCCQQPFUQATJ-YBFSCFFASA-N
MW408.59 g/mol
LogP7.57
Rot. Bonds5

About (Z)-1,4-diphenylbut-2-en-1-imine;ethane;1-methyl-2-phenylpyrrole

(Z)-1,4-diphenylbut-2-en-1-imine;ethane;1-methyl-2-phenylpyrrole (PubChem CID 145387103) has the molecular formula C29H32N2 and a molecular weight of 408.59 g/mol. Its IUPAC name is (Z)-1,4-diphenylbut-2-en-1-imine;ethane;1-methyl-2-phenylpyrrole.

Molecular Properties

Compound Name(Z)-1,4-diphenylbut-2-en-1-imine;ethane;1-methyl-2-phenylpyrrole
PubChem CID145387103
Molecular FormulaC29H32N2
Molecular Weight408.59 g/mol
Exact Mass408.26
IUPAC Name(Z)-1,4-diphenylbut-2-en-1-imine;ethane;1-methyl-2-phenylpyrrole
SMILESCC.Cn1cccc1-c1ccccc1.[H]/N=C(\C=C/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H15N.C11H11N.C2H6/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14;1-12-9-5-8-11(12)10-6-3-2-4-7-10;1-2/h1-9,11-13,17H,10H2;2-9H,1H3;1-2H3/b13-7-,17-16+;;
InChIKeyWPLCCQQPFUQATJ-YBFSCFFASA-N
XLogP7.57
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1,4-diphenylbut-2-en-1-imine;ethane
CID 145272751
(Z)-1-[3-[3,6-diphenyl-2-[3-[(Z)-4-phenylbut-2-enimidoyl]phenyl]phenyl]phenyl]-4-phenylbut-2-ene-1,4-diimine
CID 170026216
(Z)-4-imino-4-phenylbut-2-enimidamide
CID 143937504
ethane;(Z)-2-ethyl-1,4-diphenylbut-2-en-1-imine
CID 145295437
ethane;(Z)-4-(6-fluoro-1,4-dihydrocyclopenta[a]inden-5-yl)-2-phenylbut-2-en-1-imine;1-methyl-2-phenylpyrrole
CID 144876370
(Z)-2,4-diphenylbut-2-en-1-imine
CID 144876754
1-[4-(1-methylpyrrol-2-yl)phenyl]ethanone
CID 84668969
(2E,5E)-1-phenylhepta-2,5-dien-4-one
CID 102247041
1-methyl-2-(4-prop-1-en-2-ylphenyl)pyrrole
CID 174651508
(Z)-4-phenylbut-2-enoyl chloride
CID 176872561
ethane;methoxymethane;(Z)-3-methyl-5-(3-phenylphenyl)pent-3-en-2-imine
CID 145051761
(2S)-2-amino-3-[4-(1-methylpyrrol-2-yl)phenyl]propanoic acid
CID 154008645

Frequently Asked Questions

What is the IUPAC name of (Z)-1,4-diphenylbut-2-en-1-imine;ethane;1-methyl-2-phenylpyrrole?
The IUPAC name of (Z)-1,4-diphenylbut-2-en-1-imine;ethane;1-methyl-2-phenylpyrrole (CID 145387103) is (Z)-1,4-diphenylbut-2-en-1-imine;ethane;1-methyl-2-phenylpyrrole.
What is the SMILES notation for (Z)-1,4-diphenylbut-2-en-1-imine;ethane;1-methyl-2-phenylpyrrole?
The canonical SMILES for (Z)-1,4-diphenylbut-2-en-1-imine;ethane;1-methyl-2-phenylpyrrole is CC.Cn1cccc1-c1ccccc1.[H]/N=C(\C=C/Cc1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-1,4-diphenylbut-2-en-1-imine;ethane;1-methyl-2-phenylpyrrole?
The InChIKey is WPLCCQQPFUQATJ-YBFSCFFASA-N. The full InChI is InChI=1S/C16H15N.C11H11N.C2H6/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14;1-12-9-5-8-11(12)10-6-3-2-4-7-10;1-2/h1-9,11-13,17H,10H2;2-9H,1H3;1-2H3/b13-7-,17-16+;;.
What are the key properties of (Z)-1,4-diphenylbut-2-en-1-imine;ethane;1-methyl-2-phenylpyrrole?
(Z)-1,4-diphenylbut-2-en-1-imine;ethane;1-methyl-2-phenylpyrrole has a molecular weight of 408.59 g/mol, XLogP of 7.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,4-diphenylbut-2-en-1-imine;ethane;1-methyl-2-phenylpyrrole is sourced from PubChem (CID 145387103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).