3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,4,4a,5,6-hexahydronaphthalen-1-yl)cyclohexen-1-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-pyrrole

C32H39N — CID 67951663

IUPAC3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,4,4a,5,6-hexahydronaphthalen-1-yl)cyclohexen-1-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-pyrrole
SMILESC1=CC(C2=CCC(C3=C4C=CCCC4C(C4=CCCC=C4)CC3)CC2)CC(C2CC=NC2)=C1
InChIInChI=1S/C32H39N/c1-2-7-24(8-3-1)29-17-18-30(32-12-5-4-11-31(29)32)25-15-13-23(14-16-25)26-9-6-10-27(21-26)28-19-20-33-22-28/h2,5-10,12-13,20,25-26,28-29,31H,1,3-4,11,14-19,21-22H2
InChIKeySFIRNDPMSGEGST-UHFFFAOYSA-N
MW437.67 g/mol
LogP8.26
Rot. Bonds4

About 3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,4,4a,5,6-hexahydronaphthalen-1-yl)cyclohexen-1-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-pyrrole

3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,4,4a,5,6-hexahydronaphthalen-1-yl)cyclohexen-1-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-pyrrole (PubChem CID 67951663) has the molecular formula C32H39N and a molecular weight of 437.67 g/mol. Its IUPAC name is 3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,4,4a,5,6-hexahydronaphthalen-1-yl)cyclohexen-1-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,4,4a,5,6-hexahydronaphthalen-1-yl)cyclohexen-1-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-pyrrole
PubChem CID67951663
Molecular FormulaC32H39N
Molecular Weight437.67 g/mol
Exact Mass437.31
IUPAC Name3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,4,4a,5,6-hexahydronaphthalen-1-yl)cyclohexen-1-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-pyrrole
SMILESC1=CC(C2=CCC(C3=C4C=CCCC4C(C4=CCCC=C4)CC3)CC2)CC(C2CC=NC2)=C1
InChIInChI=1S/C32H39N/c1-2-7-24(8-3-1)29-17-18-30(32-12-5-4-11-31(29)32)25-15-13-23(14-16-25)26-9-6-10-27(21-26)28-19-20-33-22-28/h2,5-10,12-13,20,25-26,28-29,31H,1,3-4,11,14-19,21-22H2
InChIKeySFIRNDPMSGEGST-UHFFFAOYSA-N
XLogP8.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.67
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,4,4a,5,6-hexahydronaphthalen-1-yl)cyclohexen-1-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-pyrrole 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 3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,4,4a,5,6-hexahydronaphthalen-1-yl)cyclohexen-1-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,4,4a,5,6-hexahydronaphthalen-1-yl)cyclohexen-1-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-pyrrole (CID 67951663) is 3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,4,4a,5,6-hexahydronaphthalen-1-yl)cyclohexen-1-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,4,4a,5,6-hexahydronaphthalen-1-yl)cyclohexen-1-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,4,4a,5,6-hexahydronaphthalen-1-yl)cyclohexen-1-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-pyrrole is C1=CC(C2=CCC(C3=C4C=CCCC4C(C4=CCCC=C4)CC3)CC2)CC(C2CC=NC2)=C1.
What is the InChIKey of 3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,4,4a,5,6-hexahydronaphthalen-1-yl)cyclohexen-1-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-pyrrole?
The InChIKey is SFIRNDPMSGEGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N/c1-2-7-24(8-3-1)29-17-18-30(32-12-5-4-11-31(29)32)25-15-13-23(14-16-25)26-9-6-10-27(21-26)28-19-20-33-22-28/h2,5-10,12-13,20,25-26,28-29,31H,1,3-4,11,14-19,21-22H2.
What are the key properties of 3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,4,4a,5,6-hexahydronaphthalen-1-yl)cyclohexen-1-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-pyrrole?
3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,4,4a,5,6-hexahydronaphthalen-1-yl)cyclohexen-1-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-pyrrole has a molecular weight of 437.67 g/mol, XLogP of 8.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-2,3,4,4a,5,6-hexahydronaphthalen-1-yl)cyclohexen-1-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 67951663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).