2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine

C44H30N4 — CID 153435475

IUPAC2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccncc4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C44H30N4/c1-5-13-31(14-6-1)36-25-37(32-15-7-2-8-16-32)28-40(27-36)43-46-42(35-21-23-45-24-22-35)47-44(48-43)41-29-38(33-17-9-3-10-18-33)26-39(30-41)34-19-11-4-12-20-34/h1-30H
InChIKeyGLNMIDMMDPMJAE-UHFFFAOYSA-N
MW614.75 g/mol
LogP10.94
Rot. Bonds7

About 2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine

2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine (PubChem CID 153435475) has the molecular formula C44H30N4 and a molecular weight of 614.75 g/mol. Its IUPAC name is 2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine
PubChem CID153435475
Molecular FormulaC44H30N4
Molecular Weight614.75 g/mol
Exact Mass614.25
IUPAC Name2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccncc4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C44H30N4/c1-5-13-31(14-6-1)36-25-37(32-15-7-2-8-16-32)28-40(27-36)43-46-42(35-21-23-45-24-22-35)47-44(48-43)41-29-38(33-17-9-3-10-18-33)26-39(30-41)34-19-11-4-12-20-34/h1-30H
InChIKeyGLNMIDMMDPMJAE-UHFFFAOYSA-N
XLogP10.94
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 168835981
2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine
CID 155595102
2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine
CID 102332851
2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine
CID 146569234
2,4-diphenyl-6-[3-phenyl-5-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 126704955
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943623
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943296
2-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4,6-di(propan-2-yl)-1,3,5-triazine
CID 176843141
2,4-diphenyl-6-[3-[3-[6-phenyl-4-(3-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine
CID 175141868
2-(3,5-diphenylphenyl)-4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 160680702
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606668
2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine
CID 118344700

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine?
The IUPAC name of 2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine (CID 153435475) is 2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine?
The canonical SMILES for 2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccncc4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)c2)cc1.
What is the InChIKey of 2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine?
The InChIKey is GLNMIDMMDPMJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4/c1-5-13-31(14-6-1)36-25-37(32-15-7-2-8-16-32)28-40(27-36)43-46-42(35-21-23-45-24-22-35)47-44(48-43)41-29-38(33-17-9-3-10-18-33)26-39(30-41)34-19-11-4-12-20-34/h1-30H.
What are the key properties of 2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine?
2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine has a molecular weight of 614.75 g/mol, XLogP of 10.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine is sourced from PubChem (CID 153435475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).