2,6-diphenyl-4-[3-[(1E,4E)-5-phenylpenta-1,4-dienyl]phenyl]-1,4-dihydro-1,3,5-triazine

C32H27N3 — CID 118642062

IUPAC2,6-diphenyl-4-[3-[(1E,4E)-5-phenylpenta-1,4-dienyl]phenyl]-1,4-dihydro-1,3,5-triazine
SMILESC(=C/c1ccccc1)\C/C=C/c1cccc(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)c1
InChIInChI=1S/C32H27N3/c1-5-14-25(15-6-1)16-7-2-8-17-26-18-13-23-29(24-26)32-34-30(27-19-9-3-10-20-27)33-31(35-32)28-21-11-4-12-22-28/h1,3-24,32H,2H2,(H,33,34,35)/b16-7+,17-8+
InChIKeyKRXGNAUAMOQRPI-GDWCLCACSA-N
MW453.59 g/mol
LogP7.30
Rot. Bonds7

About 2,6-diphenyl-4-[3-[(1E,4E)-5-phenylpenta-1,4-dienyl]phenyl]-1,4-dihydro-1,3,5-triazine

2,6-diphenyl-4-[3-[(1E,4E)-5-phenylpenta-1,4-dienyl]phenyl]-1,4-dihydro-1,3,5-triazine (PubChem CID 118642062) has the molecular formula C32H27N3 and a molecular weight of 453.59 g/mol. Its IUPAC name is 2,6-diphenyl-4-[3-[(1E,4E)-5-phenylpenta-1,4-dienyl]phenyl]-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2,6-diphenyl-4-[3-[(1E,4E)-5-phenylpenta-1,4-dienyl]phenyl]-1,4-dihydro-1,3,5-triazine
PubChem CID118642062
Molecular FormulaC32H27N3
Molecular Weight453.59 g/mol
Exact Mass453.22
IUPAC Name2,6-diphenyl-4-[3-[(1E,4E)-5-phenylpenta-1,4-dienyl]phenyl]-1,4-dihydro-1,3,5-triazine
SMILESC(=C/c1ccccc1)\C/C=C/c1cccc(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)c1
InChIInChI=1S/C32H27N3/c1-5-14-25(15-6-1)16-7-2-8-17-26-18-13-23-29(24-26)32-34-30(27-19-9-3-10-20-27)33-31(35-32)28-21-11-4-12-22-28/h1,3-24,32H,2H2,(H,33,34,35)/b16-7+,17-8+
InChIKeyKRXGNAUAMOQRPI-GDWCLCACSA-N
XLogP7.30
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 118543950
2-(4-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 122477886
2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 129197599
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170179928
2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170227940
2,6-diphenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 164758282
2-(2-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 126727956
4-(3-methyl-5-phenylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 144615998
4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 142294091
4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 139400710
12-[3-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163536905

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4-[3-[(1E,4E)-5-phenylpenta-1,4-dienyl]phenyl]-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2,6-diphenyl-4-[3-[(1E,4E)-5-phenylpenta-1,4-dienyl]phenyl]-1,4-dihydro-1,3,5-triazine (CID 118642062) is 2,6-diphenyl-4-[3-[(1E,4E)-5-phenylpenta-1,4-dienyl]phenyl]-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2,6-diphenyl-4-[3-[(1E,4E)-5-phenylpenta-1,4-dienyl]phenyl]-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2,6-diphenyl-4-[3-[(1E,4E)-5-phenylpenta-1,4-dienyl]phenyl]-1,4-dihydro-1,3,5-triazine is C(=C/c1ccccc1)\C/C=C/c1cccc(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)c1.
What is the InChIKey of 2,6-diphenyl-4-[3-[(1E,4E)-5-phenylpenta-1,4-dienyl]phenyl]-1,4-dihydro-1,3,5-triazine?
The InChIKey is KRXGNAUAMOQRPI-GDWCLCACSA-N. The full InChI is InChI=1S/C32H27N3/c1-5-14-25(15-6-1)16-7-2-8-17-26-18-13-23-29(24-26)32-34-30(27-19-9-3-10-20-27)33-31(35-32)28-21-11-4-12-22-28/h1,3-24,32H,2H2,(H,33,34,35)/b16-7+,17-8+.
What are the key properties of 2,6-diphenyl-4-[3-[(1E,4E)-5-phenylpenta-1,4-dienyl]phenyl]-1,4-dihydro-1,3,5-triazine?
2,6-diphenyl-4-[3-[(1E,4E)-5-phenylpenta-1,4-dienyl]phenyl]-1,4-dihydro-1,3,5-triazine has a molecular weight of 453.59 g/mol, XLogP of 7.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-4-[3-[(1E,4E)-5-phenylpenta-1,4-dienyl]phenyl]-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 118642062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).