2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-iodo-1,3,5-triazine

C15H14IN3 — CID 88943138

IUPAC2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-iodo-1,3,5-triazine
SMILESIc1nc(C2=CCCC=C2)nc(C2C=CC=CC2)n1
InChIInChI=1S/C15H14IN3/c16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1,3-5,7,9-11H,2,6,8H2
InChIKeySYUWZLVCUNVPKS-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.81
Rot. Bonds2

About 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-iodo-1,3,5-triazine

2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-iodo-1,3,5-triazine (PubChem CID 88943138) has the molecular formula C15H14IN3 and a molecular weight of 363.20 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-iodo-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-iodo-1,3,5-triazine
PubChem CID88943138
Molecular FormulaC15H14IN3
Molecular Weight363.20 g/mol
Exact Mass363.02
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-iodo-1,3,5-triazine
SMILESIc1nc(C2=CCCC=C2)nc(C2C=CC=CC2)n1
InChIInChI=1S/C15H14IN3/c16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1,3-5,7,9-11H,2,6,8H2
InChIKeySYUWZLVCUNVPKS-UHFFFAOYSA-N
XLogP3.81
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-iodo-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-iodo-1,3,5-triazine (CID 88943138) is 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-iodo-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-iodo-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-iodo-1,3,5-triazine is Ic1nc(C2=CCCC=C2)nc(C2C=CC=CC2)n1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-iodo-1,3,5-triazine?
The InChIKey is SYUWZLVCUNVPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3/c16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1,3-5,7,9-11H,2,6,8H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-iodo-1,3,5-triazine?
2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-iodo-1,3,5-triazine has a molecular weight of 363.20 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-iodo-1,3,5-triazine is sourced from PubChem (CID 88943138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).