(2Z)-1-[4-[4-[4-[(E)-hept-2-en-3-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-2,3-dihydronaphthalen-1-yl]penta-2,4-dien-1-imine

C34H41N — CID 88530058

IUPAC(2Z)-1-[4-[4-[4-[(E)-hept-2-en-3-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-2,3-dihydronaphthalen-1-yl]penta-2,4-dien-1-imine
SMILES[H]/N=C(\C=C/C=C)C1=c2ccccc2=C(C2CC=C(C3=CC=C(/C(=C/C)CCCC)CC3)CC2)CC1
InChIInChI=1S/C34H41N/c1-4-7-11-25(6-3)26-15-17-27(18-16-26)28-19-21-29(22-20-28)30-23-24-33(34(35)14-8-5-2)32-13-10-9-12-31(30)32/h5-6,8-10,12-15,17,19,29,35H,2,4,7,11,16,18,20-24H2,1,3H3/b14-8-,25-6+,35-34+
InChIKeySJUVNKMVTSTHQA-XNHOZZMTSA-N
MW463.71 g/mol
LogP8.05
Rot. Bonds9

About (2Z)-1-[4-[4-[4-[(E)-hept-2-en-3-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-2,3-dihydronaphthalen-1-yl]penta-2,4-dien-1-imine

(2Z)-1-[4-[4-[4-[(E)-hept-2-en-3-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-2,3-dihydronaphthalen-1-yl]penta-2,4-dien-1-imine (PubChem CID 88530058) has the molecular formula C34H41N and a molecular weight of 463.71 g/mol. Its IUPAC name is (2Z)-1-[4-[4-[4-[(E)-hept-2-en-3-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-2,3-dihydronaphthalen-1-yl]penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-1-[4-[4-[4-[(E)-hept-2-en-3-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-2,3-dihydronaphthalen-1-yl]penta-2,4-dien-1-imine
PubChem CID88530058
Molecular FormulaC34H41N
Molecular Weight463.71 g/mol
Exact Mass463.32
IUPAC Name(2Z)-1-[4-[4-[4-[(E)-hept-2-en-3-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-2,3-dihydronaphthalen-1-yl]penta-2,4-dien-1-imine
SMILES[H]/N=C(\C=C/C=C)C1=c2ccccc2=C(C2CC=C(C3=CC=C(/C(=C/C)CCCC)CC3)CC2)CC1
InChIInChI=1S/C34H41N/c1-4-7-11-25(6-3)26-15-17-27(18-16-26)28-19-21-29(22-20-28)30-23-24-33(34(35)14-8-5-2)32-13-10-9-12-31(30)32/h5-6,8-10,12-15,17,19,29,35H,2,4,7,11,16,18,20-24H2,1,3H3/b14-8-,25-6+,35-34+
InChIKeySJUVNKMVTSTHQA-XNHOZZMTSA-N
XLogP8.05
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.71
LogP ≤ 58.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z)-1-[4-[4-[4-[(E)-hept-2-en-3-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-2,3-dihydronaphthalen-1-yl]penta-2,4-dien-1-imine with MolForge

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Related Compounds

(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
(8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine
CID 23051203
Tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine
CID 56995744
6-Cyclohexa-2,4-dien-1-yl-3-[5-[10-(5-methyl-2,3-dihydronaphthalen-1-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]-2,3-dihydropyridine
CID 88488298
6-Cyclohexa-2,4-dien-1-yl-3-[5-[10-(5-ethyl-2,3-dihydronaphthalen-1-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]-2,3-dihydropyridine
CID 88488311
3-[5-[10-(5-Ethyl-2,3-dihydronaphthalen-1-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]-6-(1,2,5,6-tetrahydronaphthalen-1-yl)-2,3-dihydropyridine
CID 88488329
(2Z,6E)-6-ethyl-2-[4-(4-heptan-3-ylcyclohex-3-en-1-yl)-1,2,3,8a-tetrahydronaphthalen-1-yl]undeca-2,6-dien-1-imine
CID 88530026
2-[4-[4-[(Z)-5-(2,3-dihydronaphthalen-2-yl)hex-3-en-2-yl]cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalen-1-yl]ethanimine
CID 88530027
(2Z,4E)-5-[4-[4-[4-(2,3,7,8-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalen-1-yl]-2,3-dihydronaphthalen-1-yl]penta-2,4-dien-1-imine
CID 88530043
(E)-3-[2-[4-[4-[4-(2,3-dihydronaphthalen-1-yl)cyclohex-2-en-1-yl]-2,3,7,8-tetrahydronaphthalen-1-yl]cyclohexa-1,3-dien-1-yl]ethyl]-4-methylhept-4-en-1-imine
CID 88530073
(2Z)-2-[(E)-3-[4-(4-cyclohexa-1,3-dien-1-ylcyclohex-2-en-1-yl)-1,2,3,8a-tetrahydronaphthalen-1-yl]prop-2-enylidene]heptane-1,7-diimine
CID 88530085
(E)-5-[4-[4-[4-[4-[(E)-1-(6-ethylcyclohex-2-en-1-yl)prop-1-enyl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]-1,7,8,8a-tetrahydronaphthalen-1-yl]pent-4-en-1-imine
CID 88530128

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-[4-[4-[4-[(E)-hept-2-en-3-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-2,3-dihydronaphthalen-1-yl]penta-2,4-dien-1-imine?
The IUPAC name of (2Z)-1-[4-[4-[4-[(E)-hept-2-en-3-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-2,3-dihydronaphthalen-1-yl]penta-2,4-dien-1-imine (CID 88530058) is (2Z)-1-[4-[4-[4-[(E)-hept-2-en-3-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-2,3-dihydronaphthalen-1-yl]penta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-1-[4-[4-[4-[(E)-hept-2-en-3-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-2,3-dihydronaphthalen-1-yl]penta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-1-[4-[4-[4-[(E)-hept-2-en-3-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-2,3-dihydronaphthalen-1-yl]penta-2,4-dien-1-imine is [H]/N=C(\C=C/C=C)C1=c2ccccc2=C(C2CC=C(C3=CC=C(/C(=C/C)CCCC)CC3)CC2)CC1.
What is the InChIKey of (2Z)-1-[4-[4-[4-[(E)-hept-2-en-3-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-2,3-dihydronaphthalen-1-yl]penta-2,4-dien-1-imine?
The InChIKey is SJUVNKMVTSTHQA-XNHOZZMTSA-N. The full InChI is InChI=1S/C34H41N/c1-4-7-11-25(6-3)26-15-17-27(18-16-26)28-19-21-29(22-20-28)30-23-24-33(34(35)14-8-5-2)32-13-10-9-12-31(30)32/h5-6,8-10,12-15,17,19,29,35H,2,4,7,11,16,18,20-24H2,1,3H3/b14-8-,25-6+,35-34+.
What are the key properties of (2Z)-1-[4-[4-[4-[(E)-hept-2-en-3-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-2,3-dihydronaphthalen-1-yl]penta-2,4-dien-1-imine?
(2Z)-1-[4-[4-[4-[(E)-hept-2-en-3-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-2,3-dihydronaphthalen-1-yl]penta-2,4-dien-1-imine has a molecular weight of 463.71 g/mol, XLogP of 8.05, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-[4-[4-[4-[(E)-hept-2-en-3-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-2,3-dihydronaphthalen-1-yl]penta-2,4-dien-1-imine is sourced from PubChem (CID 88530058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).