7-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]quinoline

C36H22N6 — CID 118372291

IUPAC7-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]quinoline
SMILESc1ccc2cc(-c3nc(-c4cnc(-c5ccc6cccnc6c5)nc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1
InChIInChI=1S/C36H22N6/c1-3-8-26-18-28(14-11-23(26)6-1)34-40-35(29-15-12-24-7-2-4-9-27(24)19-29)42-36(41-34)31-21-38-33(39-22-31)30-16-13-25-10-5-17-37-32(25)20-30/h1-22H
InChIKeyIMZITKBALGMOMC-UHFFFAOYSA-N
MW538.61 g/mol
LogP8.18
Rot. Bonds4

About 7-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]quinoline

7-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]quinoline (PubChem CID 118372291) has the molecular formula C36H22N6 and a molecular weight of 538.61 g/mol. Its IUPAC name is 7-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]quinoline.

Molecular Properties

Compound Name7-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]quinoline
PubChem CID118372291
Molecular FormulaC36H22N6
Molecular Weight538.61 g/mol
Exact Mass538.19
IUPAC Name7-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]quinoline
SMILESc1ccc2cc(-c3nc(-c4cnc(-c5ccc6cccnc6c5)nc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1
InChIInChI=1S/C36H22N6/c1-3-8-26-18-28(14-11-23(26)6-1)34-40-35(29-15-12-24-7-2-4-9-27(24)19-29)42-36(41-34)31-21-38-33(39-22-31)30-16-13-25-10-5-17-37-32(25)20-30/h1-22H
InChIKeyIMZITKBALGMOMC-UHFFFAOYSA-N
XLogP8.18
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.61
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]quinoline?
The IUPAC name of 7-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]quinoline (CID 118372291) is 7-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]quinoline.
What is the SMILES notation for 7-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]quinoline?
The canonical SMILES for 7-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]quinoline is c1ccc2cc(-c3nc(-c4cnc(-c5ccc6cccnc6c5)nc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1.
What is the InChIKey of 7-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]quinoline?
The InChIKey is IMZITKBALGMOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N6/c1-3-8-26-18-28(14-11-23(26)6-1)34-40-35(29-15-12-24-7-2-4-9-27(24)19-29)42-36(41-34)31-21-38-33(39-22-31)30-16-13-25-10-5-17-37-32(25)20-30/h1-22H.
What are the key properties of 7-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]quinoline?
7-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]quinoline has a molecular weight of 538.61 g/mol, XLogP of 8.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]quinoline is sourced from PubChem (CID 118372291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).