(2E,4Z)-4-[[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[2-[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hepta-2,4,6-trien-3-ol

C32H48N2O3 — CID 139542110

IUPAC(2E,4Z)-4-[[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[2-[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hepta-2,4,6-trien-3-ol
SMILESC=C/C=C(CN(CCN(CC(=C/C)/C(O)=C\C)CC(/C=C\C)=C/C=C)CC(=C/C)/C(O)=C\C)\C(O)=C/C
InChIInChI=1S/C32H48N2O3/c1-9-17-26(18-10-2)22-33(23-27(12-4)30(35)14-6)20-21-34(24-28(13-5)31(36)15-7)25-29(19-11-3)32(37)16-8/h9-19,35-37H,1,3,20-25H2,2,4-8H3/b18-10-,26-17+,27-12-,28-13-,29-19-,30-14+,31-15+,32-16+
InChIKeyDIPFJTRKHWNQLY-HDPXXEITSA-N
MW508.75 g/mol
LogP7.67
Rot. Bonds17

About (2E,4Z)-4-[[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[2-[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hepta-2,4,6-trien-3-ol

(2E,4Z)-4-[[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[2-[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hepta-2,4,6-trien-3-ol (PubChem CID 139542110) has the molecular formula C32H48N2O3 and a molecular weight of 508.75 g/mol. Its IUPAC name is (2E,4Z)-4-[[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[2-[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hepta-2,4,6-trien-3-ol.

Molecular Properties

Compound Name(2E,4Z)-4-[[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[2-[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hepta-2,4,6-trien-3-ol
PubChem CID139542110
Molecular FormulaC32H48N2O3
Molecular Weight508.75 g/mol
Exact Mass508.37
IUPAC Name(2E,4Z)-4-[[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[2-[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hepta-2,4,6-trien-3-ol
SMILESC=C/C=C(CN(CCN(CC(=C/C)/C(O)=C\C)CC(/C=C\C)=C/C=C)CC(=C/C)/C(O)=C\C)\C(O)=C/C
InChIInChI=1S/C32H48N2O3/c1-9-17-26(18-10-2)22-33(23-27(12-4)30(35)14-6)20-21-34(24-28(13-5)31(36)15-7)25-29(19-11-3)32(37)16-8/h9-19,35-37H,1,3,20-25H2,2,4-8H3/b18-10-,26-17+,27-12-,28-13-,29-19-,30-14+,31-15+,32-16+
InChIKeyDIPFJTRKHWNQLY-HDPXXEITSA-N
XLogP7.67
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.75
LogP ≤ 57.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z)-4-[[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[2-[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hepta-2,4,6-trien-3-ol 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 (2E,4Z)-4-[[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[2-[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hepta-2,4,6-trien-3-ol?
The IUPAC name of (2E,4Z)-4-[[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[2-[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hepta-2,4,6-trien-3-ol (CID 139542110) is (2E,4Z)-4-[[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[2-[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hepta-2,4,6-trien-3-ol.
What is the SMILES notation for (2E,4Z)-4-[[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[2-[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hepta-2,4,6-trien-3-ol?
The canonical SMILES for (2E,4Z)-4-[[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[2-[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hepta-2,4,6-trien-3-ol is C=C/C=C(CN(CCN(CC(=C/C)/C(O)=C\C)CC(/C=C\C)=C/C=C)CC(=C/C)/C(O)=C\C)\C(O)=C/C.
What is the InChIKey of (2E,4Z)-4-[[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[2-[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hepta-2,4,6-trien-3-ol?
The InChIKey is DIPFJTRKHWNQLY-HDPXXEITSA-N. The full InChI is InChI=1S/C32H48N2O3/c1-9-17-26(18-10-2)22-33(23-27(12-4)30(35)14-6)20-21-34(24-28(13-5)31(36)15-7)25-29(19-11-3)32(37)16-8/h9-19,35-37H,1,3,20-25H2,2,4-8H3/b18-10-,26-17+,27-12-,28-13-,29-19-,30-14+,31-15+,32-16+.
What are the key properties of (2E,4Z)-4-[[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[2-[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hepta-2,4,6-trien-3-ol?
(2E,4Z)-4-[[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[2-[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hepta-2,4,6-trien-3-ol has a molecular weight of 508.75 g/mol, XLogP of 7.67, 17 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-[[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[2-[[(E,2Z)-2-ethylidene-3-hydroxypent-3-enyl]-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hepta-2,4,6-trien-3-ol is sourced from PubChem (CID 139542110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).