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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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).