4-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine

C23H27N3 — CID 145333323

IUPAC4-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESC=CC1=CC=C(C2=NC(C3=CCCC=C3)NC(C3C=CC=CC3)N2)CC1
InChIInChI=1S/C23H27N3/c1-2-17-13-15-20(16-14-17)23-25-21(18-9-5-3-6-10-18)24-22(26-23)19-11-7-4-8-12-19/h2-3,5-7,9,11-13,15,18,21-22,24H,1,4,8,10,14,16H2,(H,25,26)
InChIKeyIZBCQOMABHEIQT-UHFFFAOYSA-N
MW345.49 g/mol
LogP4.47
Rot. Bonds4

About 4-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine

4-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 145333323) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID145333323
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC Name4-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESC=CC1=CC=C(C2=NC(C3=CCCC=C3)NC(C3C=CC=CC3)N2)CC1
InChIInChI=1S/C23H27N3/c1-2-17-13-15-20(16-14-17)23-25-21(18-9-5-3-6-10-18)24-22(26-23)19-11-7-4-8-12-19/h2-3,5-7,9,11-13,15,18,21-22,24H,1,4,8,10,14,16H2,(H,25,26)
InChIKeyIZBCQOMABHEIQT-UHFFFAOYSA-N
XLogP4.47
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine (CID 145333323) is 4-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine is C=CC1=CC=C(C2=NC(C3=CCCC=C3)NC(C3C=CC=CC3)N2)CC1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is IZBCQOMABHEIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3/c1-2-17-13-15-20(16-14-17)23-25-21(18-9-5-3-6-10-18)24-22(26-23)19-11-7-4-8-12-19/h2-3,5-7,9,11-13,15,18,21-22,24H,1,4,8,10,14,16H2,(H,25,26).
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine?
4-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 345.49 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 145333323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).