(E)-N-[1-[4-(4-methylphenyl)phenyl]ethenyl]-3-(4-naphthalen-1-ylphenyl)-1-phenylbut-2-en-1-imine

C41H33N — CID 166864208

IUPAC(E)-N-[1-[4-(4-methylphenyl)phenyl]ethenyl]-3-(4-naphthalen-1-ylphenyl)-1-phenylbut-2-en-1-imine
SMILESC=C(/N=C(/C=C(\C)c1ccc(-c2cccc3ccccc23)cc1)c1ccccc1)c1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C41H33N/c1-29-16-18-34(19-17-29)35-24-22-33(23-25-35)31(3)42-41(38-11-5-4-6-12-38)28-30(2)32-20-26-37(27-21-32)40-15-9-13-36-10-7-8-14-39(36)40/h4-28H,3H2,1-2H3/b30-28+,42-41-
InChIKeyCYVMYKJGYXKKCU-UUWOABPESA-N
MW539.72 g/mol
LogP11.05
Rot. Bonds7

About (E)-N-[1-[4-(4-methylphenyl)phenyl]ethenyl]-3-(4-naphthalen-1-ylphenyl)-1-phenylbut-2-en-1-imine

(E)-N-[1-[4-(4-methylphenyl)phenyl]ethenyl]-3-(4-naphthalen-1-ylphenyl)-1-phenylbut-2-en-1-imine (PubChem CID 166864208) has the molecular formula C41H33N and a molecular weight of 539.72 g/mol. Its IUPAC name is (E)-N-[1-[4-(4-methylphenyl)phenyl]ethenyl]-3-(4-naphthalen-1-ylphenyl)-1-phenylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-[1-[4-(4-methylphenyl)phenyl]ethenyl]-3-(4-naphthalen-1-ylphenyl)-1-phenylbut-2-en-1-imine
PubChem CID166864208
Molecular FormulaC41H33N
Molecular Weight539.72 g/mol
Exact Mass539.26
IUPAC Name(E)-N-[1-[4-(4-methylphenyl)phenyl]ethenyl]-3-(4-naphthalen-1-ylphenyl)-1-phenylbut-2-en-1-imine
SMILESC=C(/N=C(/C=C(\C)c1ccc(-c2cccc3ccccc23)cc1)c1ccccc1)c1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C41H33N/c1-29-16-18-34(19-17-29)35-24-22-33(23-25-35)31(3)42-41(38-11-5-4-6-12-38)28-30(2)32-20-26-37(27-21-32)40-15-9-13-36-10-7-8-14-39(36)40/h4-28H,3H2,1-2H3/b30-28+,42-41-
InChIKeyCYVMYKJGYXKKCU-UUWOABPESA-N
XLogP11.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.72
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-(2-methylphenyl)benzene;(E)-3-[3-(4-methylphenyl)phenyl]-1-phenyl-N-(1-phenylethenyl)but-2-en-1-imine
CID 143905972
ethane;1-[4-[(3E)-5-phenylhexa-1,3,5-trien-3-yl]phenyl]naphthalene
CID 145073064
(E)-3-phenyl-N-(1-phenylethenyl)-1-[6-(3-phenylphenyl)dibenzofuran-1-yl]but-2-en-1-imine
CID 139418385
(E)-3,4-dimethyl-1-phenyl-N-(1-phenylethenyl)pent-2-en-1-imine
CID 142539028
(E)-1-[4-(9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaen-9-yl)phenyl]-3-phenyl-N-(1-phenylethenyl)but-2-en-1-imine
CID 144705232
4-naphthalen-1-ylbenzoic acid
CID 2760151
1-(4-methylphenyl)-N-[(1Z)-1-[4-(4-methylphenyl)phenyl]-3-phenylbuta-1,3-dienyl]ethanimine
CID 155049501
(E)-N-[1-[4-(9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaen-9-yl)phenyl]ethenyl]-1,3-diphenylbut-2-en-1-imine;ethane
CID 144705299
1-[4-(3-methylbuta-1,3-dienyl)phenyl]naphthalene
CID 123732172
(4Z,6E)-5-[N-[1-(4-naphthalen-1-ylphenyl)ethenyl]-C-phenylcarbonimidoyl]-7-(9-phenylcarbazol-3-yl)nona-1,4,6-trien-4-amine
CID 155106316
1-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]naphthalene
CID 102364058
(E)-3-[3-(7,8-dihydrophenanthren-3-yl)-5-(1H-indol-5-yl)phenyl]-1-phenyl-N-(1-phenylethenyl)but-2-en-1-imine
CID 155180515

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[4-(4-methylphenyl)phenyl]ethenyl]-3-(4-naphthalen-1-ylphenyl)-1-phenylbut-2-en-1-imine?
The IUPAC name of (E)-N-[1-[4-(4-methylphenyl)phenyl]ethenyl]-3-(4-naphthalen-1-ylphenyl)-1-phenylbut-2-en-1-imine (CID 166864208) is (E)-N-[1-[4-(4-methylphenyl)phenyl]ethenyl]-3-(4-naphthalen-1-ylphenyl)-1-phenylbut-2-en-1-imine.
What is the SMILES notation for (E)-N-[1-[4-(4-methylphenyl)phenyl]ethenyl]-3-(4-naphthalen-1-ylphenyl)-1-phenylbut-2-en-1-imine?
The canonical SMILES for (E)-N-[1-[4-(4-methylphenyl)phenyl]ethenyl]-3-(4-naphthalen-1-ylphenyl)-1-phenylbut-2-en-1-imine is C=C(/N=C(/C=C(\C)c1ccc(-c2cccc3ccccc23)cc1)c1ccccc1)c1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of (E)-N-[1-[4-(4-methylphenyl)phenyl]ethenyl]-3-(4-naphthalen-1-ylphenyl)-1-phenylbut-2-en-1-imine?
The InChIKey is CYVMYKJGYXKKCU-UUWOABPESA-N. The full InChI is InChI=1S/C41H33N/c1-29-16-18-34(19-17-29)35-24-22-33(23-25-35)31(3)42-41(38-11-5-4-6-12-38)28-30(2)32-20-26-37(27-21-32)40-15-9-13-36-10-7-8-14-39(36)40/h4-28H,3H2,1-2H3/b30-28+,42-41-.
What are the key properties of (E)-N-[1-[4-(4-methylphenyl)phenyl]ethenyl]-3-(4-naphthalen-1-ylphenyl)-1-phenylbut-2-en-1-imine?
(E)-N-[1-[4-(4-methylphenyl)phenyl]ethenyl]-3-(4-naphthalen-1-ylphenyl)-1-phenylbut-2-en-1-imine has a molecular weight of 539.72 g/mol, XLogP of 11.05, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-[4-(4-methylphenyl)phenyl]ethenyl]-3-(4-naphthalen-1-ylphenyl)-1-phenylbut-2-en-1-imine is sourced from PubChem (CID 166864208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).