(E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine

C33H41N — CID 88529953

IUPAC(E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine
SMILES[H]/N=C/CC/C=C/C1C=CC(C2CCC(C3CC=C(C4CC=CCC4)CC3)=C3C=CC=CC32)=CC1
InChIInChI=1S/C33H41N/c34-24-8-2-3-9-25-14-16-28(17-15-25)30-22-23-31(33-13-7-6-12-32(30)33)29-20-18-27(19-21-29)26-10-4-1-5-11-26/h1,3-4,6-7,9,12-14,16-18,24-26,29-30,32,34H,2,5,8,10-11,15,19-23H2/b9-3+,34-24+
InChIKeyPOZCKFLXTGNKKJ-KHKSTIGBSA-N
MW451.70 g/mol
LogP9.01
Rot. Bonds7

About (E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine

(E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine (PubChem CID 88529953) has the molecular formula C33H41N and a molecular weight of 451.70 g/mol. Its IUPAC name is (E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine.

Molecular Properties

Compound Name(E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine
PubChem CID88529953
Molecular FormulaC33H41N
Molecular Weight451.70 g/mol
Exact Mass451.32
IUPAC Name(E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine
SMILES[H]/N=C/CC/C=C/C1C=CC(C2CCC(C3CC=C(C4CC=CCC4)CC3)=C3C=CC=CC32)=CC1
InChIInChI=1S/C33H41N/c34-24-8-2-3-9-25-14-16-28(17-15-25)30-22-23-31(33-13-7-6-12-32(30)33)29-20-18-27(19-21-29)26-10-4-1-5-11-26/h1,3-4,6-7,9,12-14,16-18,24-26,29-30,32,34H,2,5,8,10-11,15,19-23H2/b9-3+,34-24+
InChIKeyPOZCKFLXTGNKKJ-KHKSTIGBSA-N
XLogP9.01
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.70
LogP ≤ 59.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine?
The IUPAC name of (E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine (CID 88529953) is (E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine.
What is the SMILES notation for (E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine?
The canonical SMILES for (E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine is [H]/N=C/CC/C=C/C1C=CC(C2CCC(C3CC=C(C4CC=CCC4)CC3)=C3C=CC=CC32)=CC1.
What is the InChIKey of (E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine?
The InChIKey is POZCKFLXTGNKKJ-KHKSTIGBSA-N. The full InChI is InChI=1S/C33H41N/c34-24-8-2-3-9-25-14-16-28(17-15-25)30-22-23-31(33-13-7-6-12-32(30)33)29-20-18-27(19-21-29)26-10-4-1-5-11-26/h1,3-4,6-7,9,12-14,16-18,24-26,29-30,32,34H,2,5,8,10-11,15,19-23H2/b9-3+,34-24+.
What are the key properties of (E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine?
(E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine has a molecular weight of 451.70 g/mol, XLogP of 9.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine is sourced from PubChem (CID 88529953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).