(Z)-2-[2,3-bis(ethenyl)naphthalen-1-yl]-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine

C27H25N — CID 144968870

IUPAC(Z)-2-[2,3-bis(ethenyl)naphthalen-1-yl]-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine
SMILESC=Cc1cc2ccccc2c(C(=C/C)/C=N/C(=C)c2ccc(C)cc2)c1C=C
InChIInChI=1S/C27H25N/c1-6-21-17-24-11-9-10-12-26(24)27(25(21)8-3)22(7-2)18-28-20(5)23-15-13-19(4)14-16-23/h6-18H,1,3,5H2,2,4H3/b22-7+,28-18+
InChIKeyKVTYFXGAVVMMBT-LFYAVIHQSA-N
MW363.50 g/mol
LogP7.58
Rot. Bonds6

About (Z)-2-[2,3-bis(ethenyl)naphthalen-1-yl]-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine

(Z)-2-[2,3-bis(ethenyl)naphthalen-1-yl]-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine (PubChem CID 144968870) has the molecular formula C27H25N and a molecular weight of 363.50 g/mol. Its IUPAC name is (Z)-2-[2,3-bis(ethenyl)naphthalen-1-yl]-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-[2,3-bis(ethenyl)naphthalen-1-yl]-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine
PubChem CID144968870
Molecular FormulaC27H25N
Molecular Weight363.50 g/mol
Exact Mass363.20
IUPAC Name(Z)-2-[2,3-bis(ethenyl)naphthalen-1-yl]-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine
SMILESC=Cc1cc2ccccc2c(C(=C/C)/C=N/C(=C)c2ccc(C)cc2)c1C=C
InChIInChI=1S/C27H25N/c1-6-21-17-24-11-9-10-12-26(24)27(25(21)8-3)22(7-2)18-28-20(5)23-15-13-19(4)14-16-23/h6-18H,1,3,5H2,2,4H3/b22-7+,28-18+
InChIKeyKVTYFXGAVVMMBT-LFYAVIHQSA-N
XLogP7.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 57.58
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

[2,3-bis(ethenyl)naphthalen-1-yl]boronic acid;ethane
CID 142377515
2,3-bis(ethenyl)-1-propylnaphthalene
CID 143956206
(Z)-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine
CID 144810158
2,2,2-trifluoroethyl 2,3-bis(ethenyl)naphthalene-1-carboxylate
CID 151561325
methyl 2,3-bis(ethenyl)naphthalene-1-sulfonate
CID 150256268
(E)-N-[1-[4-(4-methylphenyl)phenyl]ethenyl]-3-(4-naphthalen-1-ylphenyl)-1-phenylbut-2-en-1-imine
CID 166864208
2,3-bis(ethenyl)phenanthrene
CID 144756778
2,3-bis(ethenyl)naphthalene;ethane
CID 142152066
9-[4-[3-[4-[3,4-bis(ethenyl)naphthalen-1-yl]-2-methylphenyl]phenyl]-3-methylphenyl]phenanthrene
CID 143742640
1-chloro-2-ethenyl-3-methylnaphthalene
CID 67126076
1-ethenylnaphthalene;propane
CID 90732485
anthracene;1-ethenyl-4-methylbenzene
CID 174555561

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[2,3-bis(ethenyl)naphthalen-1-yl]-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine?
The IUPAC name of (Z)-2-[2,3-bis(ethenyl)naphthalen-1-yl]-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine (CID 144968870) is (Z)-2-[2,3-bis(ethenyl)naphthalen-1-yl]-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine.
What is the SMILES notation for (Z)-2-[2,3-bis(ethenyl)naphthalen-1-yl]-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine?
The canonical SMILES for (Z)-2-[2,3-bis(ethenyl)naphthalen-1-yl]-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine is C=Cc1cc2ccccc2c(C(=C/C)/C=N/C(=C)c2ccc(C)cc2)c1C=C.
What is the InChIKey of (Z)-2-[2,3-bis(ethenyl)naphthalen-1-yl]-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine?
The InChIKey is KVTYFXGAVVMMBT-LFYAVIHQSA-N. The full InChI is InChI=1S/C27H25N/c1-6-21-17-24-11-9-10-12-26(24)27(25(21)8-3)22(7-2)18-28-20(5)23-15-13-19(4)14-16-23/h6-18H,1,3,5H2,2,4H3/b22-7+,28-18+.
What are the key properties of (Z)-2-[2,3-bis(ethenyl)naphthalen-1-yl]-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine?
(Z)-2-[2,3-bis(ethenyl)naphthalen-1-yl]-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine has a molecular weight of 363.50 g/mol, XLogP of 7.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[2,3-bis(ethenyl)naphthalen-1-yl]-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine is sourced from PubChem (CID 144968870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).