2-(4-ethyl-2-pyridinyl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine

C33H25N5 — CID 59273801

IUPAC2-(4-ethyl-2-pyridinyl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine
SMILESCCc1ccnc(-c2nc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)nc(-c3ccccn3)n2)c1
InChIInChI=1S/C33H25N5/c1-2-23-19-21-35-30(22-23)33-37-31(36-32(38-33)29-10-6-7-20-34-29)28-17-15-27(16-18-28)26-13-11-25(12-14-26)24-8-4-3-5-9-24/h3-22H,2H2,1H3
InChIKeyMNVAVKITRIGSBT-UHFFFAOYSA-N
MW491.60 g/mol
LogP7.56
Rot. Bonds6

About 2-(4-ethyl-2-pyridinyl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine

2-(4-ethyl-2-pyridinyl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine (PubChem CID 59273801) has the molecular formula C33H25N5 and a molecular weight of 491.60 g/mol. Its IUPAC name is 2-(4-ethyl-2-pyridinyl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-ethyl-2-pyridinyl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine
PubChem CID59273801
Molecular FormulaC33H25N5
Molecular Weight491.60 g/mol
Exact Mass491.21
IUPAC Name2-(4-ethyl-2-pyridinyl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine
SMILESCCc1ccnc(-c2nc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)nc(-c3ccccn3)n2)c1
InChIInChI=1S/C33H25N5/c1-2-23-19-21-35-30(22-23)33-37-31(36-32(38-33)29-10-6-7-20-34-29)28-17-15-27(16-18-28)26-13-11-25(12-14-26)24-8-4-3-5-9-24/h3-22H,2H2,1H3
InChIKeyMNVAVKITRIGSBT-UHFFFAOYSA-N
XLogP7.56
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.60
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-Tris(2'-pyridyl)-1,3,5-triazine
CID 77258
Tt-301
CID 54576073
2,3-Diphenylpyrido[2,3-b]pyrazine
CID 817566
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
3-Phenyl-4-(Pyridin-4-Yl)-6-[4-(Pyrimidin-2-Yl)piperazin-1-Yl]pyridazine
CID 24743826
2-m-Tolyl-1,8-naphthyridine
CID 44434718
JNJ525 TFA salt
CID 124222736
2-Phenyl-1,8-naphthyridine
CID 12333592
CXCR4 antagonist 6
CID 138501464
CXCR4 antagonist 5
CID 138501621
4-(4-Methylpiperazin-1-yl)-2-pyridin-4-ylquinazoline
CID 820817
2,4-Bis(5,6-diphenyl-1,2,4-triazine-3-yl)pyridine
CID 118779

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-pyridinyl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-(4-ethyl-2-pyridinyl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine (CID 59273801) is 2-(4-ethyl-2-pyridinyl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(4-ethyl-2-pyridinyl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(4-ethyl-2-pyridinyl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine is CCc1ccnc(-c2nc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)nc(-c3ccccn3)n2)c1.
What is the InChIKey of 2-(4-ethyl-2-pyridinyl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine?
The InChIKey is MNVAVKITRIGSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N5/c1-2-23-19-21-35-30(22-23)33-37-31(36-32(38-33)29-10-6-7-20-34-29)28-17-15-27(16-18-28)26-13-11-25(12-14-26)24-8-4-3-5-9-24/h3-22H,2H2,1H3.
What are the key properties of 2-(4-ethyl-2-pyridinyl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine?
2-(4-ethyl-2-pyridinyl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine has a molecular weight of 491.60 g/mol, XLogP of 7.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-pyridinyl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 59273801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).