(2Z)-4-[5-[4-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-4-(2-methylidenecyclohex-3-en-1-yl)butyl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]penta-2,4-dien-1-amine

C44H59N — CID 88530028

IUPAC(2Z)-4-[5-[4-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-4-(2-methylidenecyclohex-3-en-1-yl)butyl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]penta-2,4-dien-1-amine
SMILESC=C(/C=C\CN)C1CC=CC(C2CC=C(CCCC(C3=C4CCCCC4=C(C4=CCCC=C4)CC3)C3CCC=CC3=C)CC2)C1
InChIInChI=1S/C44H59N/c1-32(14-12-30-45)37-18-11-19-38(31-37)35-26-24-34(25-27-35)15-10-23-41(39-20-7-6-13-33(39)2)44-29-28-40(36-16-4-3-5-17-36)42-21-8-9-22-43(42)44/h4,6,11-14,16-17,19,24,35,37-39,41H,1-3,5,7-10,15,18,20-23,25-31,45H2/b14-12-
InChIKeyQODBYNRFKVPKCG-OWBHPGMISA-N
MW601.96 g/mol
LogP11.91
Rot. Bonds11

About (2Z)-4-[5-[4-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-4-(2-methylidenecyclohex-3-en-1-yl)butyl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]penta-2,4-dien-1-amine

(2Z)-4-[5-[4-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-4-(2-methylidenecyclohex-3-en-1-yl)butyl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]penta-2,4-dien-1-amine (PubChem CID 88530028) has the molecular formula C44H59N and a molecular weight of 601.96 g/mol. Its IUPAC name is (2Z)-4-[5-[4-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-4-(2-methylidenecyclohex-3-en-1-yl)butyl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-4-[5-[4-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-4-(2-methylidenecyclohex-3-en-1-yl)butyl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]penta-2,4-dien-1-amine
PubChem CID88530028
Molecular FormulaC44H59N
Molecular Weight601.96 g/mol
Exact Mass601.46
IUPAC Name(2Z)-4-[5-[4-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-4-(2-methylidenecyclohex-3-en-1-yl)butyl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]penta-2,4-dien-1-amine
SMILESC=C(/C=C\CN)C1CC=CC(C2CC=C(CCCC(C3=C4CCCCC4=C(C4=CCCC=C4)CC3)C3CCC=CC3=C)CC2)C1
InChIInChI=1S/C44H59N/c1-32(14-12-30-45)37-18-11-19-38(31-37)35-26-24-34(25-27-35)15-10-23-41(39-20-7-6-13-33(39)2)44-29-28-40(36-16-4-3-5-17-36)42-21-8-9-22-43(42)44/h4,6,11-14,16-17,19,24,35,37-39,41H,1-3,5,7-10,15,18,20-23,25-31,45H2/b14-12-
InChIKeyQODBYNRFKVPKCG-OWBHPGMISA-N
XLogP11.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.96
LogP ≤ 511.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z)-4-[5-[4-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-4-(2-methylidenecyclohex-3-en-1-yl)butyl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]penta-2,4-dien-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z)-4-[5-[4-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-4-(2-methylidenecyclohex-3-en-1-yl)butyl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]penta-2,4-dien-1-amine?
The IUPAC name of (2Z)-4-[5-[4-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-4-(2-methylidenecyclohex-3-en-1-yl)butyl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]penta-2,4-dien-1-amine (CID 88530028) is (2Z)-4-[5-[4-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-4-(2-methylidenecyclohex-3-en-1-yl)butyl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]penta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-4-[5-[4-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-4-(2-methylidenecyclohex-3-en-1-yl)butyl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]penta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-4-[5-[4-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-4-(2-methylidenecyclohex-3-en-1-yl)butyl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]penta-2,4-dien-1-amine is C=C(/C=C\CN)C1CC=CC(C2CC=C(CCCC(C3=C4CCCCC4=C(C4=CCCC=C4)CC3)C3CCC=CC3=C)CC2)C1.
What is the InChIKey of (2Z)-4-[5-[4-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-4-(2-methylidenecyclohex-3-en-1-yl)butyl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]penta-2,4-dien-1-amine?
The InChIKey is QODBYNRFKVPKCG-OWBHPGMISA-N. The full InChI is InChI=1S/C44H59N/c1-32(14-12-30-45)37-18-11-19-38(31-37)35-26-24-34(25-27-35)15-10-23-41(39-20-7-6-13-33(39)2)44-29-28-40(36-16-4-3-5-17-36)42-21-8-9-22-43(42)44/h4,6,11-14,16-17,19,24,35,37-39,41H,1-3,5,7-10,15,18,20-23,25-31,45H2/b14-12-.
What are the key properties of (2Z)-4-[5-[4-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-4-(2-methylidenecyclohex-3-en-1-yl)butyl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]penta-2,4-dien-1-amine?
(2Z)-4-[5-[4-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-4-(2-methylidenecyclohex-3-en-1-yl)butyl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]penta-2,4-dien-1-amine has a molecular weight of 601.96 g/mol, XLogP of 11.91, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-[5-[4-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-4-(2-methylidenecyclohex-3-en-1-yl)butyl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]penta-2,4-dien-1-amine is sourced from PubChem (CID 88530028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).