2,4-dinaphthalen-1-yl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine

C33H21N5 — CID 122426450

IUPAC2,4-dinaphthalen-1-yl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine
SMILESc1cnc(-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)cc2)nc1
InChIInChI=1S/C33H21N5/c1-3-12-26-22(8-1)10-5-14-28(26)32-36-31(25-18-16-24(17-19-25)30-34-20-7-21-35-30)37-33(38-32)29-15-6-11-23-9-2-4-13-27(23)29/h1-21H
InChIKeyOFKYBXPBLBCPHZ-UHFFFAOYSA-N
MW487.57 g/mol
LogP7.64
Rot. Bonds4

About 2,4-dinaphthalen-1-yl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine

2,4-dinaphthalen-1-yl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine (PubChem CID 122426450) has the molecular formula C33H21N5 and a molecular weight of 487.57 g/mol. Its IUPAC name is 2,4-dinaphthalen-1-yl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-1-yl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine
PubChem CID122426450
Molecular FormulaC33H21N5
Molecular Weight487.57 g/mol
Exact Mass487.18
IUPAC Name2,4-dinaphthalen-1-yl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine
SMILESc1cnc(-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)cc2)nc1
InChIInChI=1S/C33H21N5/c1-3-12-26-22(8-1)10-5-14-28(26)32-36-31(25-18-16-24(17-19-25)30-34-20-7-21-35-30)37-33(38-32)29-15-6-11-23-9-2-4-13-27(23)29/h1-21H
InChIKeyOFKYBXPBLBCPHZ-UHFFFAOYSA-N
XLogP7.64
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.57
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)-1,3,5-triazine
CID 146586993
5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 122416200
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
2-naphthalen-1-yl-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 167133977
2-naphthalen-1-yl-4-phenyl-6-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 146890499
3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322558
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280
2-naphthalen-1-yl-4-[4-[[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-diphenylmethyl]phenyl]-6-phenyl-1,3,5-triazine
CID 121315433
7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline
CID 155792694
2,4-diphenyl-6-picen-4-yl-1,3,5-triazine
CID 167087403

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-1-yl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-1-yl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine (CID 122426450) is 2,4-dinaphthalen-1-yl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-1-yl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-1-yl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine is c1cnc(-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)cc2)nc1.
What is the InChIKey of 2,4-dinaphthalen-1-yl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine?
The InChIKey is OFKYBXPBLBCPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N5/c1-3-12-26-22(8-1)10-5-14-28(26)32-36-31(25-18-16-24(17-19-25)30-34-20-7-21-35-30)37-33(38-32)29-15-6-11-23-9-2-4-13-27(23)29/h1-21H.
What are the key properties of 2,4-dinaphthalen-1-yl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine?
2,4-dinaphthalen-1-yl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine has a molecular weight of 487.57 g/mol, XLogP of 7.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinaphthalen-1-yl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 122426450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).