2-(3-methyl-4-naphthalen-1-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine

C30H21N5 — CID 59273776

IUPAC2-(3-methyl-4-naphthalen-1-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESCc1cc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)ccc1-c1cccc2ccccc12
InChIInChI=1S/C30H21N5/c1-20-19-22(15-16-23(20)25-12-8-10-21-9-2-3-11-24(21)25)28-33-29(26-13-4-6-17-31-26)35-30(34-28)27-14-5-7-18-32-27/h2-19H,1H3
InChIKeyGGYYAVCGEKKKLD-UHFFFAOYSA-N
MW451.53 g/mol
LogP6.79
Rot. Bonds4

About 2-(3-methyl-4-naphthalen-1-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine

2-(3-methyl-4-naphthalen-1-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine (PubChem CID 59273776) has the molecular formula C30H21N5 and a molecular weight of 451.53 g/mol. Its IUPAC name is 2-(3-methyl-4-naphthalen-1-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-methyl-4-naphthalen-1-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine
PubChem CID59273776
Molecular FormulaC30H21N5
Molecular Weight451.53 g/mol
Exact Mass451.18
IUPAC Name2-(3-methyl-4-naphthalen-1-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESCc1cc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)ccc1-c1cccc2ccccc12
InChIInChI=1S/C30H21N5/c1-20-19-22(15-16-23(20)25-12-8-10-21-9-2-3-11-24(21)25)28-33-29(26-13-4-6-17-31-26)35-30(34-28)27-14-5-7-18-32-27/h2-19H,1H3
InChIKeyGGYYAVCGEKKKLD-UHFFFAOYSA-N
XLogP6.79
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]-2-methylphenyl]isoquinoline
CID 59273800
1-(2-methyl-4-naphthalen-1-ylphenyl)naphthalene
CID 145377660
2,4-dinaphthalen-1-yl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine
CID 122426450
2-naphthalen-1-yl-4-(9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;2-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)-4,6-dipyridin-2-yl-1,3,5-triazine;2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 158877636
2-(4-naphthalen-1-ylphenyl)-4-[3-(4-naphthalen-1-yl-3-pyridin-2-ylphenyl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
CID 171439465
2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)-1,3,5-triazine
CID 146586993
2,4-dinaphthalen-1-yl-6-[3-phenanthren-9-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]-1,3,5-triazine
CID 122416044
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-pyridin-2-ylpyrimidine
CID 130261239
2-naphthalen-1-yl-4-phenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine
CID 121315437
2-(4-anthracen-9-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine
CID 102088203
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 174244399

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-naphthalen-1-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-(3-methyl-4-naphthalen-1-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine (CID 59273776) is 2-(3-methyl-4-naphthalen-1-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(3-methyl-4-naphthalen-1-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(3-methyl-4-naphthalen-1-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine is Cc1cc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)ccc1-c1cccc2ccccc12.
What is the InChIKey of 2-(3-methyl-4-naphthalen-1-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine?
The InChIKey is GGYYAVCGEKKKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N5/c1-20-19-22(15-16-23(20)25-12-8-10-21-9-2-3-11-24(21)25)28-33-29(26-13-4-6-17-31-26)35-30(34-28)27-14-5-7-18-32-27/h2-19H,1H3.
What are the key properties of 2-(3-methyl-4-naphthalen-1-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine?
2-(3-methyl-4-naphthalen-1-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine has a molecular weight of 451.53 g/mol, XLogP of 6.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-naphthalen-1-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 59273776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).