(8E)-4-(4,4a,5,6-tetrahydronaphthalen-1-yl)-6-(3-cyclohexa-1,3-dien-1-ylcyclohex-2-en-1-yl)-9,10-dimethyl-2-[3-[(Z)-pent-3-enyl]cyclohexyl]-4-azabicyclo[9.4.0]pentadec-8-ene

C49H71N — CID 67951620

IUPAC(8E)-4-(4,4a,5,6-tetrahydronaphthalen-1-yl)-6-(3-cyclohexa-1,3-dien-1-ylcyclohex-2-en-1-yl)-9,10-dimethyl-2-[3-[(Z)-pent-3-enyl]cyclohexyl]-4-azabicyclo[9.4.0]pentadec-8-ene
SMILESC/C=C\CCC1CCCC(C2CN(C3=C4C=CCCC4CC=C3)CC(C3C=C(C4=CC=CCC4)CCC3)C/C=C(\C)C(C)C3CCCCC23)C1
InChIInChI=1S/C49H71N/c1-4-5-7-17-38-18-14-25-43(32-38)48-35-50(49-29-16-22-40-21-10-11-27-46(40)49)34-44(31-30-36(2)37(3)45-26-12-13-28-47(45)48)42-24-15-23-41(33-42)39-19-8-6-9-20-39/h4-6,8,11,16,19,27,29-30,33,37-38,40,42-45,47-48H,7,9-10,12-15,17-18,20-26,28,31-32,34-35H2,1-3H3/b5-4-,36-30+
InChIKeyJHLBBNVIRMPWJI-DRGHHUFXSA-N
MW674.11 g/mol
LogP13.66
Rot. Bonds7

About (8E)-4-(4,4a,5,6-tetrahydronaphthalen-1-yl)-6-(3-cyclohexa-1,3-dien-1-ylcyclohex-2-en-1-yl)-9,10-dimethyl-2-[3-[(Z)-pent-3-enyl]cyclohexyl]-4-azabicyclo[9.4.0]pentadec-8-ene

(8E)-4-(4,4a,5,6-tetrahydronaphthalen-1-yl)-6-(3-cyclohexa-1,3-dien-1-ylcyclohex-2-en-1-yl)-9,10-dimethyl-2-[3-[(Z)-pent-3-enyl]cyclohexyl]-4-azabicyclo[9.4.0]pentadec-8-ene (PubChem CID 67951620) has the molecular formula C49H71N and a molecular weight of 674.11 g/mol. Its IUPAC name is (8E)-4-(4,4a,5,6-tetrahydronaphthalen-1-yl)-6-(3-cyclohexa-1,3-dien-1-ylcyclohex-2-en-1-yl)-9,10-dimethyl-2-[3-[(Z)-pent-3-enyl]cyclohexyl]-4-azabicyclo[9.4.0]pentadec-8-ene.

Molecular Properties

Compound Name(8E)-4-(4,4a,5,6-tetrahydronaphthalen-1-yl)-6-(3-cyclohexa-1,3-dien-1-ylcyclohex-2-en-1-yl)-9,10-dimethyl-2-[3-[(Z)-pent-3-enyl]cyclohexyl]-4-azabicyclo[9.4.0]pentadec-8-ene
PubChem CID67951620
Molecular FormulaC49H71N
Molecular Weight674.11 g/mol
Exact Mass673.56
IUPAC Name(8E)-4-(4,4a,5,6-tetrahydronaphthalen-1-yl)-6-(3-cyclohexa-1,3-dien-1-ylcyclohex-2-en-1-yl)-9,10-dimethyl-2-[3-[(Z)-pent-3-enyl]cyclohexyl]-4-azabicyclo[9.4.0]pentadec-8-ene
SMILESC/C=C\CCC1CCCC(C2CN(C3=C4C=CCCC4CC=C3)CC(C3C=C(C4=CC=CCC4)CCC3)C/C=C(\C)C(C)C3CCCCC23)C1
InChIInChI=1S/C49H71N/c1-4-5-7-17-38-18-14-25-43(32-38)48-35-50(49-29-16-22-40-21-10-11-27-46(40)49)34-44(31-30-36(2)37(3)45-26-12-13-28-47(45)48)42-24-15-23-41(33-42)39-19-8-6-9-20-39/h4-6,8,11,16,19,27,29-30,33,37-38,40,42-45,47-48H,7,9-10,12-15,17-18,20-26,28,31-32,34-35H2,1-3H3/b5-4-,36-30+
InChIKeyJHLBBNVIRMPWJI-DRGHHUFXSA-N
XLogP13.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.11
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (8E)-4-(4,4a,5,6-tetrahydronaphthalen-1-yl)-6-(3-cyclohexa-1,3-dien-1-ylcyclohex-2-en-1-yl)-9,10-dimethyl-2-[3-[(Z)-pent-3-enyl]cyclohexyl]-4-azabicyclo[9.4.0]pentadec-8-ene 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 (8E)-4-(4,4a,5,6-tetrahydronaphthalen-1-yl)-6-(3-cyclohexa-1,3-dien-1-ylcyclohex-2-en-1-yl)-9,10-dimethyl-2-[3-[(Z)-pent-3-enyl]cyclohexyl]-4-azabicyclo[9.4.0]pentadec-8-ene?
The IUPAC name of (8E)-4-(4,4a,5,6-tetrahydronaphthalen-1-yl)-6-(3-cyclohexa-1,3-dien-1-ylcyclohex-2-en-1-yl)-9,10-dimethyl-2-[3-[(Z)-pent-3-enyl]cyclohexyl]-4-azabicyclo[9.4.0]pentadec-8-ene (CID 67951620) is (8E)-4-(4,4a,5,6-tetrahydronaphthalen-1-yl)-6-(3-cyclohexa-1,3-dien-1-ylcyclohex-2-en-1-yl)-9,10-dimethyl-2-[3-[(Z)-pent-3-enyl]cyclohexyl]-4-azabicyclo[9.4.0]pentadec-8-ene.
What is the SMILES notation for (8E)-4-(4,4a,5,6-tetrahydronaphthalen-1-yl)-6-(3-cyclohexa-1,3-dien-1-ylcyclohex-2-en-1-yl)-9,10-dimethyl-2-[3-[(Z)-pent-3-enyl]cyclohexyl]-4-azabicyclo[9.4.0]pentadec-8-ene?
The canonical SMILES for (8E)-4-(4,4a,5,6-tetrahydronaphthalen-1-yl)-6-(3-cyclohexa-1,3-dien-1-ylcyclohex-2-en-1-yl)-9,10-dimethyl-2-[3-[(Z)-pent-3-enyl]cyclohexyl]-4-azabicyclo[9.4.0]pentadec-8-ene is C/C=C\CCC1CCCC(C2CN(C3=C4C=CCCC4CC=C3)CC(C3C=C(C4=CC=CCC4)CCC3)C/C=C(\C)C(C)C3CCCCC23)C1.
What is the InChIKey of (8E)-4-(4,4a,5,6-tetrahydronaphthalen-1-yl)-6-(3-cyclohexa-1,3-dien-1-ylcyclohex-2-en-1-yl)-9,10-dimethyl-2-[3-[(Z)-pent-3-enyl]cyclohexyl]-4-azabicyclo[9.4.0]pentadec-8-ene?
The InChIKey is JHLBBNVIRMPWJI-DRGHHUFXSA-N. The full InChI is InChI=1S/C49H71N/c1-4-5-7-17-38-18-14-25-43(32-38)48-35-50(49-29-16-22-40-21-10-11-27-46(40)49)34-44(31-30-36(2)37(3)45-26-12-13-28-47(45)48)42-24-15-23-41(33-42)39-19-8-6-9-20-39/h4-6,8,11,16,19,27,29-30,33,37-38,40,42-45,47-48H,7,9-10,12-15,17-18,20-26,28,31-32,34-35H2,1-3H3/b5-4-,36-30+.
What are the key properties of (8E)-4-(4,4a,5,6-tetrahydronaphthalen-1-yl)-6-(3-cyclohexa-1,3-dien-1-ylcyclohex-2-en-1-yl)-9,10-dimethyl-2-[3-[(Z)-pent-3-enyl]cyclohexyl]-4-azabicyclo[9.4.0]pentadec-8-ene?
(8E)-4-(4,4a,5,6-tetrahydronaphthalen-1-yl)-6-(3-cyclohexa-1,3-dien-1-ylcyclohex-2-en-1-yl)-9,10-dimethyl-2-[3-[(Z)-pent-3-enyl]cyclohexyl]-4-azabicyclo[9.4.0]pentadec-8-ene has a molecular weight of 674.11 g/mol, XLogP of 13.66, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-4-(4,4a,5,6-tetrahydronaphthalen-1-yl)-6-(3-cyclohexa-1,3-dien-1-ylcyclohex-2-en-1-yl)-9,10-dimethyl-2-[3-[(Z)-pent-3-enyl]cyclohexyl]-4-azabicyclo[9.4.0]pentadec-8-ene is sourced from PubChem (CID 67951620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).