(Z)-2-[4-[4-[(E)-1-phenylbut-1-enyl]phenyl]naphthalen-1-yl]but-2-en-1-imine

C30H27N — CID 142425002

IUPAC(Z)-2-[4-[4-[(E)-1-phenylbut-1-enyl]phenyl]naphthalen-1-yl]but-2-en-1-imine
SMILES[H]/N=C/C(=C\C)c1ccc(-c2ccc(/C(=C/CC)c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C30H27N/c1-3-10-26(23-11-6-5-7-12-23)24-15-17-25(18-16-24)28-20-19-27(22(4-2)21-31)29-13-8-9-14-30(28)29/h4-21,31H,3H2,1-2H3/b22-4+,26-10+,31-21+
InChIKeyFZACXAKOXCYJSF-QSXJSSPCSA-N
MW401.55 g/mol
LogP8.40
Rot. Bonds6

About (Z)-2-[4-[4-[(E)-1-phenylbut-1-enyl]phenyl]naphthalen-1-yl]but-2-en-1-imine

(Z)-2-[4-[4-[(E)-1-phenylbut-1-enyl]phenyl]naphthalen-1-yl]but-2-en-1-imine (PubChem CID 142425002) has the molecular formula C30H27N and a molecular weight of 401.55 g/mol. Its IUPAC name is (Z)-2-[4-[4-[(E)-1-phenylbut-1-enyl]phenyl]naphthalen-1-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-[4-[4-[(E)-1-phenylbut-1-enyl]phenyl]naphthalen-1-yl]but-2-en-1-imine
PubChem CID142425002
Molecular FormulaC30H27N
Molecular Weight401.55 g/mol
Exact Mass401.21
IUPAC Name(Z)-2-[4-[4-[(E)-1-phenylbut-1-enyl]phenyl]naphthalen-1-yl]but-2-en-1-imine
SMILES[H]/N=C/C(=C\C)c1ccc(-c2ccc(/C(=C/CC)c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C30H27N/c1-3-10-26(23-11-6-5-7-12-23)24-15-17-25(18-16-24)28-20-19-27(22(4-2)21-31)29-13-8-9-14-30(28)29/h4-21,31H,3H2,1-2H3/b22-4+,26-10+,31-21+
InChIKeyFZACXAKOXCYJSF-QSXJSSPCSA-N
XLogP8.40
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-phenylbut-2-en-1-imine;propane
CID 166165004
1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene
CID 102093677
(Z)-1-(4-phenylnaphthalen-1-yl)prop-1-en-1-amine
CID 144875956
(Z)-2-[4-(2-methylpropyl)phenyl]but-2-en-1-imine;toluene
CID 144956775
1-[4-(4-acetylnaphthalen-1-yl)phenyl]ethanone
CID 58315812
(Z)-2,4-diphenylbut-2-en-1-imine
CID 144876754
4-N-[4-[4-(2,2-diphenylethenyl)naphthalen-1-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 22983512
2-[(E)-1-(4-fluorophenyl)but-1-enyl]benzoic acid
CID 138975121
1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine
CID 129256978
ethane;1-[4-[(3E)-5-phenylhexa-1,3,5-trien-3-yl]phenyl]naphthalene
CID 145073064
2-methyl-5-[4-[4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalen-1-yl]phenyl]-N-phenylaniline;(E)-1-phenylbut-1-en-1-amine;1-phenylethanimine
CID 145327215
12-methyl-10-phenyl-6-[(Z)-1-phenylbut-1-enyl]-1,4-diazoniatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene
CID 176918724

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[4-[4-[(E)-1-phenylbut-1-enyl]phenyl]naphthalen-1-yl]but-2-en-1-imine?
The IUPAC name of (Z)-2-[4-[4-[(E)-1-phenylbut-1-enyl]phenyl]naphthalen-1-yl]but-2-en-1-imine (CID 142425002) is (Z)-2-[4-[4-[(E)-1-phenylbut-1-enyl]phenyl]naphthalen-1-yl]but-2-en-1-imine.
What is the SMILES notation for (Z)-2-[4-[4-[(E)-1-phenylbut-1-enyl]phenyl]naphthalen-1-yl]but-2-en-1-imine?
The canonical SMILES for (Z)-2-[4-[4-[(E)-1-phenylbut-1-enyl]phenyl]naphthalen-1-yl]but-2-en-1-imine is [H]/N=C/C(=C\C)c1ccc(-c2ccc(/C(=C/CC)c3ccccc3)cc2)c2ccccc12.
What is the InChIKey of (Z)-2-[4-[4-[(E)-1-phenylbut-1-enyl]phenyl]naphthalen-1-yl]but-2-en-1-imine?
The InChIKey is FZACXAKOXCYJSF-QSXJSSPCSA-N. The full InChI is InChI=1S/C30H27N/c1-3-10-26(23-11-6-5-7-12-23)24-15-17-25(18-16-24)28-20-19-27(22(4-2)21-31)29-13-8-9-14-30(28)29/h4-21,31H,3H2,1-2H3/b22-4+,26-10+,31-21+.
What are the key properties of (Z)-2-[4-[4-[(E)-1-phenylbut-1-enyl]phenyl]naphthalen-1-yl]but-2-en-1-imine?
(Z)-2-[4-[4-[(E)-1-phenylbut-1-enyl]phenyl]naphthalen-1-yl]but-2-en-1-imine has a molecular weight of 401.55 g/mol, XLogP of 8.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[4-[4-[(E)-1-phenylbut-1-enyl]phenyl]naphthalen-1-yl]but-2-en-1-imine is sourced from PubChem (CID 142425002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).