2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine

C43H29N5 — CID 59510704

IUPAC2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)n3)c2)cc1
InChIInChI=1S/C43H29N5/c1-3-13-30(14-4-1)32-17-11-19-34(25-32)41-46-42(35-20-12-18-33(26-35)31-15-5-2-6-16-31)48-43(47-41)38-28-36(39-21-7-9-23-44-39)27-37(29-38)40-22-8-10-24-45-40/h1-29H
InChIKeyALNNWHUPPTWWMJ-UHFFFAOYSA-N
MW615.74 g/mol
LogP10.33
Rot. Bonds7

About 2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine

2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine (PubChem CID 59510704) has the molecular formula C43H29N5 and a molecular weight of 615.74 g/mol. Its IUPAC name is 2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
PubChem CID59510704
Molecular FormulaC43H29N5
Molecular Weight615.74 g/mol
Exact Mass615.24
IUPAC Name2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)n3)c2)cc1
InChIInChI=1S/C43H29N5/c1-3-13-30(14-4-1)32-17-11-19-34(25-32)41-46-42(35-20-12-18-33(26-35)31-15-5-2-6-16-31)48-43(47-41)38-28-36(39-21-7-9-23-44-39)27-37(29-38)40-22-8-10-24-45-40/h1-29H
InChIKeyALNNWHUPPTWWMJ-UHFFFAOYSA-N
XLogP10.33
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diphenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 59510699
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730883
2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine
CID 146568414
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 118582359
2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-6-phenyl-1,3,5-triazine
CID 176843202
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 122549117
2-naphthalen-2-yl-4-phenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 122543044
2-(3,5-dipyridin-2-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118582331
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118
2-(3-phenylphenyl)-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-(3-phenylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;2,4,6-tris(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 158115571
2-[3,5-bis(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(5-phenyl-2-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(3-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(3-pyridin-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158691631

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine (CID 59510704) is 2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)n3)c2)cc1.
What is the InChIKey of 2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is ALNNWHUPPTWWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N5/c1-3-13-30(14-4-1)32-17-11-19-34(25-32)41-46-42(35-20-12-18-33(26-35)31-15-5-2-6-16-31)48-43(47-41)38-28-36(39-21-7-9-23-44-39)27-37(29-38)40-22-8-10-24-45-40/h1-29H.
What are the key properties of 2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 615.74 g/mol, XLogP of 10.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 59510704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).