2,4,6-triethyl-5-[1-[4-[1-(2,4,6-triethyl-5-iminocyclohex-3-en-1-ylidene)ethyl]-1,3,5-triazin-2-yl]ethylidene]cyclohex-2-en-1-imine

C31H45N5 — CID 91569619

IUPAC2,4,6-triethyl-5-[1-[4-[1-(2,4,6-triethyl-5-iminocyclohex-3-en-1-ylidene)ethyl]-1,3,5-triazin-2-yl]ethylidene]cyclohex-2-en-1-imine
SMILES[H]/N=C1\C(CC)=CC(CC)C(=C(C)c2ncnc(C(C)=C3C(CC)C=C(CC)/C(=N\[H])C3CC)n2)C1CC
InChIInChI=1S/C31H45N5/c1-9-20-15-22(11-3)28(32)24(13-5)26(20)18(7)30-34-17-35-31(36-30)19(8)27-21(10-2)16-23(12-4)29(33)25(27)14-6/h15-17,20-21,24-25,32-33H,9-14H2,1-8H3/b26-18?,27-19?,32-28+,33-29+
InChIKeyAWRDPNRDQXUFGJ-CTZBPUQQSA-N
MW487.74 g/mol
LogP8.26
Rot. Bonds8

About 2,4,6-triethyl-5-[1-[4-[1-(2,4,6-triethyl-5-iminocyclohex-3-en-1-ylidene)ethyl]-1,3,5-triazin-2-yl]ethylidene]cyclohex-2-en-1-imine

2,4,6-triethyl-5-[1-[4-[1-(2,4,6-triethyl-5-iminocyclohex-3-en-1-ylidene)ethyl]-1,3,5-triazin-2-yl]ethylidene]cyclohex-2-en-1-imine (PubChem CID 91569619) has the molecular formula C31H45N5 and a molecular weight of 487.74 g/mol. Its IUPAC name is 2,4,6-triethyl-5-[1-[4-[1-(2,4,6-triethyl-5-iminocyclohex-3-en-1-ylidene)ethyl]-1,3,5-triazin-2-yl]ethylidene]cyclohex-2-en-1-imine.

Molecular Properties

Compound Name2,4,6-triethyl-5-[1-[4-[1-(2,4,6-triethyl-5-iminocyclohex-3-en-1-ylidene)ethyl]-1,3,5-triazin-2-yl]ethylidene]cyclohex-2-en-1-imine
PubChem CID91569619
Molecular FormulaC31H45N5
Molecular Weight487.74 g/mol
Exact Mass487.37
IUPAC Name2,4,6-triethyl-5-[1-[4-[1-(2,4,6-triethyl-5-iminocyclohex-3-en-1-ylidene)ethyl]-1,3,5-triazin-2-yl]ethylidene]cyclohex-2-en-1-imine
SMILES[H]/N=C1\C(CC)=CC(CC)C(=C(C)c2ncnc(C(C)=C3C(CC)C=C(CC)/C(=N\[H])C3CC)n2)C1CC
InChIInChI=1S/C31H45N5/c1-9-20-15-22(11-3)28(32)24(13-5)26(20)18(7)30-34-17-35-31(36-30)19(8)27-21(10-2)16-23(12-4)29(33)25(27)14-6/h15-17,20-21,24-25,32-33H,9-14H2,1-8H3/b26-18?,27-19?,32-28+,33-29+
InChIKeyAWRDPNRDQXUFGJ-CTZBPUQQSA-N
XLogP8.26
TPSA86.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.74
LogP ≤ 58.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2,4,6-triethyl-5-[1-[4-[1-(2,4,6-triethyl-5-iminocyclohex-3-en-1-ylidene)ethyl]-1,3,5-triazin-2-yl]ethylidene]cyclohex-2-en-1-imine with MolForge

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Related Compounds

2-hexa-1,5-dien-3-yl-4-[(1E)-3-[(1E)-hexa-1,5-dienyl]-5,6-dimethylidenedeca-1,9-dienyl]-1,3,5-triazine
CID 166984446
2-cyclohexa-2,4-dien-1-yl-4-[(1E)-3-cyclohexa-1,5-dien-1-yl-6-methyl-5-methylidenedeca-1,9-dienyl]-1,3,5-triazine
CID 166984458

Frequently Asked Questions

What is the IUPAC name of 2,4,6-triethyl-5-[1-[4-[1-(2,4,6-triethyl-5-iminocyclohex-3-en-1-ylidene)ethyl]-1,3,5-triazin-2-yl]ethylidene]cyclohex-2-en-1-imine?
The IUPAC name of 2,4,6-triethyl-5-[1-[4-[1-(2,4,6-triethyl-5-iminocyclohex-3-en-1-ylidene)ethyl]-1,3,5-triazin-2-yl]ethylidene]cyclohex-2-en-1-imine (CID 91569619) is 2,4,6-triethyl-5-[1-[4-[1-(2,4,6-triethyl-5-iminocyclohex-3-en-1-ylidene)ethyl]-1,3,5-triazin-2-yl]ethylidene]cyclohex-2-en-1-imine.
What is the SMILES notation for 2,4,6-triethyl-5-[1-[4-[1-(2,4,6-triethyl-5-iminocyclohex-3-en-1-ylidene)ethyl]-1,3,5-triazin-2-yl]ethylidene]cyclohex-2-en-1-imine?
The canonical SMILES for 2,4,6-triethyl-5-[1-[4-[1-(2,4,6-triethyl-5-iminocyclohex-3-en-1-ylidene)ethyl]-1,3,5-triazin-2-yl]ethylidene]cyclohex-2-en-1-imine is [H]/N=C1\C(CC)=CC(CC)C(=C(C)c2ncnc(C(C)=C3C(CC)C=C(CC)/C(=N\[H])C3CC)n2)C1CC.
What is the InChIKey of 2,4,6-triethyl-5-[1-[4-[1-(2,4,6-triethyl-5-iminocyclohex-3-en-1-ylidene)ethyl]-1,3,5-triazin-2-yl]ethylidene]cyclohex-2-en-1-imine?
The InChIKey is AWRDPNRDQXUFGJ-CTZBPUQQSA-N. The full InChI is InChI=1S/C31H45N5/c1-9-20-15-22(11-3)28(32)24(13-5)26(20)18(7)30-34-17-35-31(36-30)19(8)27-21(10-2)16-23(12-4)29(33)25(27)14-6/h15-17,20-21,24-25,32-33H,9-14H2,1-8H3/b26-18?,27-19?,32-28+,33-29+.
What are the key properties of 2,4,6-triethyl-5-[1-[4-[1-(2,4,6-triethyl-5-iminocyclohex-3-en-1-ylidene)ethyl]-1,3,5-triazin-2-yl]ethylidene]cyclohex-2-en-1-imine?
2,4,6-triethyl-5-[1-[4-[1-(2,4,6-triethyl-5-iminocyclohex-3-en-1-ylidene)ethyl]-1,3,5-triazin-2-yl]ethylidene]cyclohex-2-en-1-imine has a molecular weight of 487.74 g/mol, XLogP of 8.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triethyl-5-[1-[4-[1-(2,4,6-triethyl-5-iminocyclohex-3-en-1-ylidene)ethyl]-1,3,5-triazin-2-yl]ethylidene]cyclohex-2-en-1-imine is sourced from PubChem (CID 91569619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).