2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine

C46H32N4 — CID 138548371

IUPAC2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(C(=C(c2ccccc2)c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccncc5)cc4)n3)c2)c2ccccc2)cc1
InChIInChI=1S/C46H32N4/c1-5-14-35(15-6-1)42(36-16-7-2-8-17-36)43(37-18-9-3-10-19-37)40-22-13-23-41(32-40)46-49-44(38-20-11-4-12-21-38)48-45(50-46)39-26-24-33(25-27-39)34-28-30-47-31-29-34/h1-32H
InChIKeyKPZPJXKRROBBDM-UHFFFAOYSA-N
MW640.79 g/mol
LogP10.94
Rot. Bonds8

About 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine

2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine (PubChem CID 138548371) has the molecular formula C46H32N4 and a molecular weight of 640.79 g/mol. Its IUPAC name is 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine
PubChem CID138548371
Molecular FormulaC46H32N4
Molecular Weight640.79 g/mol
Exact Mass640.26
IUPAC Name2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(C(=C(c2ccccc2)c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccncc5)cc4)n3)c2)c2ccccc2)cc1
InChIInChI=1S/C46H32N4/c1-5-14-35(15-6-1)42(36-16-7-2-8-17-36)43(37-18-9-3-10-19-37)40-22-13-23-41(32-40)46-49-44(38-20-11-4-12-21-38)48-45(50-46)39-26-24-33(25-27-39)34-28-30-47-31-29-34/h1-32H
InChIKeyKPZPJXKRROBBDM-UHFFFAOYSA-N
XLogP10.94
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-phenyl-4-triphenylen-2-yl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine
CID 138548274
2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 168835981
2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163452387
2,4-diphenyl-6-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 138548269
4-[4-[(Z)-1,2-diphenyl-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine
CID 172894351
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163606051
2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine
CID 153435475
2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 165168331
2,4-diphenyl-6-[4-[4-(4-pyridin-4-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-4-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(4-pyridin-4-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-4-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 167534445
2,4-diphenyl-6-[3-[3-[6-phenyl-4-(3-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine
CID 175141868
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine
CID 118014045

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine (CID 138548371) is 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine is c1ccc(C(=C(c2ccccc2)c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccncc5)cc4)n3)c2)c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine?
The InChIKey is KPZPJXKRROBBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4/c1-5-14-35(15-6-1)42(36-16-7-2-8-17-36)43(37-18-9-3-10-19-37)40-22-13-23-41(32-40)46-49-44(38-20-11-4-12-21-38)48-45(50-46)39-26-24-33(25-27-39)34-28-30-47-31-29-34/h1-32H.
What are the key properties of 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine?
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine has a molecular weight of 640.79 g/mol, XLogP of 10.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 138548371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).