2-chloro-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine

C16H14ClN3 — CID 145217979

IUPAC2-chloro-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine
SMILESC=C/C(=C\C=C/C)c1nc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C16H14ClN3/c1-3-5-9-12(4-2)14-18-15(20-16(17)19-14)13-10-7-6-8-11-13/h3-11H,2H2,1H3/b5-3-,12-9+
InChIKeyKLTPPKFSTSCBNT-FNNBZGKSSA-N
MW283.76 g/mol
LogP4.34
Rot. Bonds4

About 2-chloro-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine

2-chloro-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine (PubChem CID 145217979) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-chloro-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine
PubChem CID145217979
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name2-chloro-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine
SMILESC=C/C(=C\C=C/C)c1nc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C16H14ClN3/c1-3-5-9-12(4-2)14-18-15(20-16(17)19-14)13-10-7-6-8-11-13/h3-11H,2H2,1H3/b5-3-,12-9+
InChIKeyKLTPPKFSTSCBNT-FNNBZGKSSA-N
XLogP4.34
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[(3E)-hexa-1,3,5-trien-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 145137803
2-[(3E)-hexa-1,3,5-trien-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 134447786
2-[4-(4-chlorophenyl)phenyl]-4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine
CID 135264971
2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine
CID 145390977
2-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-6-phenyl-1,3,5-triazine
CID 135197445
5-bromo-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-phenylpyrimidine
CID 130452753
2-[(3E)-hexa-1,3,5-trien-3-yl]-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-6-phenyl-1,3,5-triazine
CID 134185256
2-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]pyridine
CID 121313286
[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phosphonic acid
CID 142351616
2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 22476006
2-[(3E)-hexa-1,3,5-trien-3-yl]-4-[3-(6-methyl-3-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine
CID 144734447
ethane;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;methane;propane;prop-1-ene
CID 145452849

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine (CID 145217979) is 2-chloro-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine is C=C/C(=C\C=C/C)c1nc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 2-chloro-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is KLTPPKFSTSCBNT-FNNBZGKSSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-3-5-9-12(4-2)14-18-15(20-16(17)19-14)13-10-7-6-8-11-13/h3-11H,2H2,1H3/b5-3-,12-9+.
What are the key properties of 2-chloro-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine?
2-chloro-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 283.76 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 145217979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).