8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline

C38H24N4 — CID 58322556

IUPAC8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline
SMILESc1ccc2cc(-c3nc(-c4ccc(-c5cccc6cccnc56)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1
InChIInChI=1S/C38H24N4/c1-3-9-30-23-32(20-14-25(30)7-1)37-40-36(41-38(42-37)33-21-15-26-8-2-4-10-31(26)24-33)29-18-16-27(17-19-29)34-13-5-11-28-12-6-22-39-35(28)34/h1-24H
InChIKeyJUUBLVLOFUPMOY-UHFFFAOYSA-N
MW536.64 g/mol
LogP9.39
Rot. Bonds4

About 8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline

8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline (PubChem CID 58322556) has the molecular formula C38H24N4 and a molecular weight of 536.64 g/mol. Its IUPAC name is 8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline.

Molecular Properties

Compound Name8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline
PubChem CID58322556
Molecular FormulaC38H24N4
Molecular Weight536.64 g/mol
Exact Mass536.20
IUPAC Name8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline
SMILESc1ccc2cc(-c3nc(-c4ccc(-c5cccc6cccnc56)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1
InChIInChI=1S/C38H24N4/c1-3-9-30-23-32(20-14-25(30)7-1)37-40-36(41-38(42-37)33-21-15-26-8-2-4-10-31(26)24-33)29-18-16-27(17-19-29)34-13-5-11-28-12-6-22-39-35(28)34/h1-24H
InChIKeyJUUBLVLOFUPMOY-UHFFFAOYSA-N
XLogP9.39
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.64
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline?
The IUPAC name of 8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline (CID 58322556) is 8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline.
What is the SMILES notation for 8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline?
The canonical SMILES for 8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline is c1ccc2cc(-c3nc(-c4ccc(-c5cccc6cccnc56)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1.
What is the InChIKey of 8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline?
The InChIKey is JUUBLVLOFUPMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4/c1-3-9-30-23-32(20-14-25(30)7-1)37-40-36(41-38(42-37)33-21-15-26-8-2-4-10-31(26)24-33)29-18-16-27(17-19-29)34-13-5-11-28-12-6-22-39-35(28)34/h1-24H.
What are the key properties of 8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline?
8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline has a molecular weight of 536.64 g/mol, XLogP of 9.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline is sourced from PubChem (CID 58322556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).