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

C38H24N4 — CID 122426440

IUPAC1-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline
SMILESc1cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc(-c2nccc3ccccc23)c1
InChIInChI=1S/C38H24N4/c1-3-11-28-22-32(18-16-25(28)8-1)37-40-36(41-38(42-37)33-19-17-26-9-2-4-12-29(26)23-33)31-14-7-13-30(24-31)35-34-15-6-5-10-27(34)20-21-39-35/h1-24H
InChIKeyCYCXVIVEKPABCK-UHFFFAOYSA-N
MW536.64 g/mol
LogP9.39
Rot. Bonds4

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

1-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline (PubChem CID 122426440) has the molecular formula C38H24N4 and a molecular weight of 536.64 g/mol. Its IUPAC name is 1-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline.

Molecular Properties

Compound Name1-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline
PubChem CID122426440
Molecular FormulaC38H24N4
Molecular Weight536.64 g/mol
Exact Mass536.20
IUPAC Name1-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline
SMILESc1cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc(-c2nccc3ccccc23)c1
InChIInChI=1S/C38H24N4/c1-3-11-28-22-32(18-16-25(28)8-1)37-40-36(41-38(42-37)33-19-17-26-9-2-4-12-29(26)23-33)31-14-7-13-30(24-31)35-34-15-6-5-10-27(34)20-21-39-35/h1-24H
InChIKeyCYCXVIVEKPABCK-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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Related Compounds

1-[3-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 140786417
1-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
CID 58462262
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582323
1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]isoquinoline
CID 90401606
1-[4-[3-(4-isoquinolin-1-ylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]isoquinoline
CID 163990353
1-[3-[4-(3,5-diphenylphenyl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]isoquinoline
CID 140786241
2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
CID 164745897
2-(3-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 122416272
2-naphthalen-2-yl-4-phenanthren-2-yl-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 174232916
4-[3-[4-(4-phenanthren-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-h]isoquinoline
CID 174289761
1-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine
CID 164974564
1-[3-(4,6-diphenylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582444

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline?
The IUPAC name of 1-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline (CID 122426440) is 1-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline.
What is the SMILES notation for 1-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline?
The canonical SMILES for 1-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline is c1cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc(-c2nccc3ccccc23)c1.
What is the InChIKey of 1-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline?
The InChIKey is CYCXVIVEKPABCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4/c1-3-11-28-22-32(18-16-25(28)8-1)37-40-36(41-38(42-37)33-19-17-26-9-2-4-12-29(26)23-33)31-14-7-13-30(24-31)35-34-15-6-5-10-27(34)20-21-39-35/h1-24H.
What are the key properties of 1-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline?
1-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline 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 1-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline is sourced from PubChem (CID 122426440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).