4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-5H-indeno[1,2-d]pyrimidine

C37H24N6 — CID 118243296

IUPAC4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ncnc6c5Cc5ccccc5-6)ccn4)c3)n2)cc1
InChIInChI=1S/C37H24N6/c1-3-10-24(11-4-1)35-41-36(25-12-5-2-6-13-25)43-37(42-35)29-16-9-15-27(20-29)32-22-28(18-19-38-32)33-31-21-26-14-7-8-17-30(26)34(31)40-23-39-33/h1-20,22-23H,21H2
InChIKeyQXHLCYBWTAXERT-UHFFFAOYSA-N
MW552.64 g/mol
LogP7.96
Rot. Bonds5

About 4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-5H-indeno[1,2-d]pyrimidine

4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-5H-indeno[1,2-d]pyrimidine (PubChem CID 118243296) has the molecular formula C37H24N6 and a molecular weight of 552.64 g/mol. Its IUPAC name is 4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-5H-indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-5H-indeno[1,2-d]pyrimidine
PubChem CID118243296
Molecular FormulaC37H24N6
Molecular Weight552.64 g/mol
Exact Mass552.21
IUPAC Name4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ncnc6c5Cc5ccccc5-6)ccn4)c3)n2)cc1
InChIInChI=1S/C37H24N6/c1-3-10-24(11-4-1)35-41-36(25-12-5-2-6-13-25)43-37(42-35)29-16-9-15-27(20-29)32-22-28(18-19-38-32)33-31-21-26-14-7-8-17-30(26)34(31)40-23-39-33/h1-20,22-23H,21H2
InChIKeyQXHLCYBWTAXERT-UHFFFAOYSA-N
XLogP7.96
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-5H-indeno[1,2-d]pyrimidine with MolForge

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Related Compounds

2-[2-(9H-fluoren-2-yl)-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 161248550
2-[2-(9H-fluoren-4-yl)-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 146886116
6-phenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5H-indeno[1,2-d]pyrimidine
CID 118243379
2,4-diphenyl-6-[3-[3-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 118685413
4-[4-[3-(5H-indeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 118243365
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5H-indeno[1,2-d]pyrimidine;4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-5H-indeno[1,2-d]pyrimidine;4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]-5H-indeno[1,2-d]pyrimidine
CID 162236025
10-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118243339
2-[3-(4-chloro-2-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 171832572
6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 118243329
2-[3-(9H-fluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158076538
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)-9H-fluoren-3-yl]phenyl]-1,3,5-triazine
CID 118685423
2,4-diphenyl-6-[3-[6-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 118685425

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-5H-indeno[1,2-d]pyrimidine?
The IUPAC name of 4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-5H-indeno[1,2-d]pyrimidine (CID 118243296) is 4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-5H-indeno[1,2-d]pyrimidine.
What is the SMILES notation for 4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-5H-indeno[1,2-d]pyrimidine?
The canonical SMILES for 4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-5H-indeno[1,2-d]pyrimidine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ncnc6c5Cc5ccccc5-6)ccn4)c3)n2)cc1.
What is the InChIKey of 4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-5H-indeno[1,2-d]pyrimidine?
The InChIKey is QXHLCYBWTAXERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N6/c1-3-10-24(11-4-1)35-41-36(25-12-5-2-6-13-25)43-37(42-35)29-16-9-15-27(20-29)32-22-28(18-19-38-32)33-31-21-26-14-7-8-17-30(26)34(31)40-23-39-33/h1-20,22-23H,21H2.
What are the key properties of 4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-5H-indeno[1,2-d]pyrimidine?
4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-5H-indeno[1,2-d]pyrimidine has a molecular weight of 552.64 g/mol, XLogP of 7.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-5H-indeno[1,2-d]pyrimidine is sourced from PubChem (CID 118243296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).