2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-6-phenyl-1,3,5-triazine

C26H23N5 — CID 144875855

IUPAC2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-6-phenyl-1,3,5-triazine
SMILESC/C=C\C(=C/C)c1nc(-c2ccccc2)nc(-c2ccnc(-c3cc(C)ccn3)c2)n1
InChIInChI=1S/C26H23N5/c1-4-9-19(5-2)24-29-25(20-10-7-6-8-11-20)31-26(30-24)21-13-15-28-23(17-21)22-16-18(3)12-14-27-22/h4-17H,1-3H3/b9-4-,19-5+
InChIKeyBODAQWVIDNYIST-WTFVYTDDSA-N
MW405.51 g/mol
LogP5.95
Rot. Bonds5

About 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-6-phenyl-1,3,5-triazine

2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-6-phenyl-1,3,5-triazine (PubChem CID 144875855) has the molecular formula C26H23N5 and a molecular weight of 405.51 g/mol. Its IUPAC name is 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-6-phenyl-1,3,5-triazine
PubChem CID144875855
Molecular FormulaC26H23N5
Molecular Weight405.51 g/mol
Exact Mass405.20
IUPAC Name2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-6-phenyl-1,3,5-triazine
SMILESC/C=C\C(=C/C)c1nc(-c2ccccc2)nc(-c2ccnc(-c3cc(C)ccn3)c2)n1
InChIInChI=1S/C26H23N5/c1-4-9-19(5-2)24-29-25(20-10-7-6-8-11-20)31-26(30-24)21-13-15-28-23(17-21)22-16-18(3)12-14-27-22/h4-17H,1-3H3/b9-4-,19-5+
InChIKeyBODAQWVIDNYIST-WTFVYTDDSA-N
XLogP5.95
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.51
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-6-phenyl-1,3,5-triazine (CID 144875855) is 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-6-phenyl-1,3,5-triazine is C/C=C\C(=C/C)c1nc(-c2ccccc2)nc(-c2ccnc(-c3cc(C)ccn3)c2)n1.
What is the InChIKey of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-6-phenyl-1,3,5-triazine?
The InChIKey is BODAQWVIDNYIST-WTFVYTDDSA-N. The full InChI is InChI=1S/C26H23N5/c1-4-9-19(5-2)24-29-25(20-10-7-6-8-11-20)31-26(30-24)21-13-15-28-23(17-21)22-16-18(3)12-14-27-22/h4-17H,1-3H3/b9-4-,19-5+.
What are the key properties of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-6-phenyl-1,3,5-triazine?
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-6-phenyl-1,3,5-triazine has a molecular weight of 405.51 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 144875855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).