4-(3,5-dimethylcyclohex-3-en-1-yl)-3-methyl-7-prop-1-en-2-yl-9-(trifluoromethyl)-6,6a,10a,10b-tetrahydro-4H-benzo[f]isoquinoline

C26H32F3N — CID 154967341

IUPAC4-(3,5-dimethylcyclohex-3-en-1-yl)-3-methyl-7-prop-1-en-2-yl-9-(trifluoromethyl)-6,6a,10a,10b-tetrahydro-4H-benzo[f]isoquinoline
SMILESC=C(C)C1=CC(C(F)(F)F)=CC2C3C=CN(C)C(C4CC(C)=CC(C)C4)C3=CCC12
InChIInChI=1S/C26H32F3N/c1-15(2)23-13-19(26(27,28)29)14-24-20(23)6-7-22-21(24)8-9-30(5)25(22)18-11-16(3)10-17(4)12-18/h7-10,13-14,16,18,20-21,24-25H,1,6,11-12H2,2-5H3
InChIKeyGKTYEIAWWDYTSD-UHFFFAOYSA-N
MW415.54 g/mol
LogP6.99
Rot. Bonds2

About 4-(3,5-dimethylcyclohex-3-en-1-yl)-3-methyl-7-prop-1-en-2-yl-9-(trifluoromethyl)-6,6a,10a,10b-tetrahydro-4H-benzo[f]isoquinoline

4-(3,5-dimethylcyclohex-3-en-1-yl)-3-methyl-7-prop-1-en-2-yl-9-(trifluoromethyl)-6,6a,10a,10b-tetrahydro-4H-benzo[f]isoquinoline (PubChem CID 154967341) has the molecular formula C26H32F3N and a molecular weight of 415.54 g/mol. Its IUPAC name is 4-(3,5-dimethylcyclohex-3-en-1-yl)-3-methyl-7-prop-1-en-2-yl-9-(trifluoromethyl)-6,6a,10a,10b-tetrahydro-4H-benzo[f]isoquinoline.

Molecular Properties

Compound Name4-(3,5-dimethylcyclohex-3-en-1-yl)-3-methyl-7-prop-1-en-2-yl-9-(trifluoromethyl)-6,6a,10a,10b-tetrahydro-4H-benzo[f]isoquinoline
PubChem CID154967341
Molecular FormulaC26H32F3N
Molecular Weight415.54 g/mol
Exact Mass415.25
IUPAC Name4-(3,5-dimethylcyclohex-3-en-1-yl)-3-methyl-7-prop-1-en-2-yl-9-(trifluoromethyl)-6,6a,10a,10b-tetrahydro-4H-benzo[f]isoquinoline
SMILESC=C(C)C1=CC(C(F)(F)F)=CC2C3C=CN(C)C(C4CC(C)=CC(C)C4)C3=CCC12
InChIInChI=1S/C26H32F3N/c1-15(2)23-13-19(26(27,28)29)14-24-20(23)6-7-22-21(24)8-9-30(5)25(22)18-11-16(3)10-17(4)12-18/h7-10,13-14,16,18,20-21,24-25H,1,6,11-12H2,2-5H3
InChIKeyGKTYEIAWWDYTSD-UHFFFAOYSA-N
XLogP6.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(3,5-dimethylcyclohex-3-en-1-yl)-3-methyl-7-prop-1-en-2-yl-9-(trifluoromethyl)-6,6a,10a,10b-tetrahydro-4H-benzo[f]isoquinoline with MolForge

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Related Compounds

9-(trifluoromethyl)-2,3,4,4a,4b,5,6,8-octahydro-1H-naphtho[2,1-a]quinolizine
CID 88137309
10-(trifluoromethyl)-2,3,4,4a,4b,5,6,8-octahydro-1H-naphtho[2,1-a]quinolizine
CID 88144690
1-N,6-N-bis(4,4a,5,6-tetrahydronaphthalen-1-yl)-1-N,6-N-bis[5-cyclohexa-2,4-dien-1-yl-3-(4-fluorocyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]-1,4,5,8,8a,9,10,10a-octahydropyrene-1,6-diamine
CID 89017119
1-[3-Methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)butyl]-5-[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3a,4-dihydroindole
CID 134345660
N-ethyl-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 139670667
N-[4-(6-ethyl-3,5-difluorocyclohexa-1,3-dien-1-yl)-3,3,4-trimethylpentan-2-yl]-N,6-dimethylcyclohexa-1,5-dien-1-amine
CID 155106139
1-(3,5-Dimethylcyclohexa-1,3-dien-1-yl)-8-fluoro-12-methyl-1,2,6a,10a,11,12-hexahydronaphtho[2,1-f]isoquinoline
CID 156544756
4-(3,5-Dimethylcyclohexyl)-7-propan-2-yl-9-(trifluoromethyl)-3,4,7,8,9,10,10a,10b-octahydrobenzo[f]isoquinoline
CID 156544929
4-(3,5-dimethylcyclohexa-2,4-dien-1-yl)-3-methyl-7-prop-1-en-2-yl-9-(trifluoromethyl)-6,6a,10a,10b-tetrahydro-4H-benzo[f]isoquinoline
CID 166812470
7-Propan-2-yl-9-(trifluoromethyl)-4-(3,5,5-trimethylcyclohexen-1-yl)-3,4,6,6a,9,10,10a,10b-octahydrobenzo[f]isoquinoline
CID 166812474
6,6-Diethyl-8,10-bis(trifluoromethyl)-7,11-dihydrobenzo[a]quinolizine
CID 162569409
7,7-Diethyl-15,15-difluoro-6-methylidene-5-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,8,10,13-pentaene
CID 162582251

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylcyclohex-3-en-1-yl)-3-methyl-7-prop-1-en-2-yl-9-(trifluoromethyl)-6,6a,10a,10b-tetrahydro-4H-benzo[f]isoquinoline?
The IUPAC name of 4-(3,5-dimethylcyclohex-3-en-1-yl)-3-methyl-7-prop-1-en-2-yl-9-(trifluoromethyl)-6,6a,10a,10b-tetrahydro-4H-benzo[f]isoquinoline (CID 154967341) is 4-(3,5-dimethylcyclohex-3-en-1-yl)-3-methyl-7-prop-1-en-2-yl-9-(trifluoromethyl)-6,6a,10a,10b-tetrahydro-4H-benzo[f]isoquinoline.
What is the SMILES notation for 4-(3,5-dimethylcyclohex-3-en-1-yl)-3-methyl-7-prop-1-en-2-yl-9-(trifluoromethyl)-6,6a,10a,10b-tetrahydro-4H-benzo[f]isoquinoline?
The canonical SMILES for 4-(3,5-dimethylcyclohex-3-en-1-yl)-3-methyl-7-prop-1-en-2-yl-9-(trifluoromethyl)-6,6a,10a,10b-tetrahydro-4H-benzo[f]isoquinoline is C=C(C)C1=CC(C(F)(F)F)=CC2C3C=CN(C)C(C4CC(C)=CC(C)C4)C3=CCC12.
What is the InChIKey of 4-(3,5-dimethylcyclohex-3-en-1-yl)-3-methyl-7-prop-1-en-2-yl-9-(trifluoromethyl)-6,6a,10a,10b-tetrahydro-4H-benzo[f]isoquinoline?
The InChIKey is GKTYEIAWWDYTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N/c1-15(2)23-13-19(26(27,28)29)14-24-20(23)6-7-22-21(24)8-9-30(5)25(22)18-11-16(3)10-17(4)12-18/h7-10,13-14,16,18,20-21,24-25H,1,6,11-12H2,2-5H3.
What are the key properties of 4-(3,5-dimethylcyclohex-3-en-1-yl)-3-methyl-7-prop-1-en-2-yl-9-(trifluoromethyl)-6,6a,10a,10b-tetrahydro-4H-benzo[f]isoquinoline?
4-(3,5-dimethylcyclohex-3-en-1-yl)-3-methyl-7-prop-1-en-2-yl-9-(trifluoromethyl)-6,6a,10a,10b-tetrahydro-4H-benzo[f]isoquinoline has a molecular weight of 415.54 g/mol, XLogP of 6.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylcyclohex-3-en-1-yl)-3-methyl-7-prop-1-en-2-yl-9-(trifluoromethyl)-6,6a,10a,10b-tetrahydro-4H-benzo[f]isoquinoline is sourced from PubChem (CID 154967341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).