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

C38H24N4 — CID 122416200

IUPAC5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
SMILESc1ccc2c(-c3nc(-c4ccc(-c5cccc6ncccc56)cc4)nc(-c4cccc5ccccc45)n3)cccc2c1
InChIInChI=1S/C38H24N4/c1-3-13-30-25(9-1)11-5-16-33(30)37-40-36(41-38(42-37)34-17-6-12-26-10-2-4-14-31(26)34)28-22-20-27(21-23-28)29-15-7-19-35-32(29)18-8-24-39-35/h1-24H
InChIKeyUCPIRMCFZLJYGO-UHFFFAOYSA-N
MW536.64 g/mol
LogP9.39
Rot. Bonds4

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

5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline (PubChem CID 122416200) has the molecular formula C38H24N4 and a molecular weight of 536.64 g/mol. Its IUPAC name is 5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline.

Molecular Properties

Compound Name5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
PubChem CID122416200
Molecular FormulaC38H24N4
Molecular Weight536.64 g/mol
Exact Mass536.20
IUPAC Name5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
SMILESc1ccc2c(-c3nc(-c4ccc(-c5cccc6ncccc56)cc4)nc(-c4cccc5ccccc45)n3)cccc2c1
InChIInChI=1S/C38H24N4/c1-3-13-30-25(9-1)11-5-16-33(30)37-40-36(41-38(42-37)34-17-6-12-26-10-2-4-14-31(26)34)28-22-20-27(21-23-28)29-15-7-19-35-32(29)18-8-24-39-35/h1-24H
InChIKeyUCPIRMCFZLJYGO-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

2,4-bis[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;5-[4-[3-[3-[4-phenyl-6-[3-[3-(4-quinolin-5-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]quinoline
CID 161207659
2,4-dinaphthalen-1-yl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine
CID 122426450
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
5-[4-[3,5-di(phenanthren-9-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]quinoline
CID 146926587
5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]quinoline
CID 163908541
4-[4-[4-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 155203946
2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)-1,3,5-triazine
CID 146586993
3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322558
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
2-(4-bromophenyl)-4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 142724155
4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
CID 71174827
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302511

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline?
The IUPAC name of 5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline (CID 122416200) is 5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline.
What is the SMILES notation for 5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline?
The canonical SMILES for 5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline is c1ccc2c(-c3nc(-c4ccc(-c5cccc6ncccc56)cc4)nc(-c4cccc5ccccc45)n3)cccc2c1.
What is the InChIKey of 5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline?
The InChIKey is UCPIRMCFZLJYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4/c1-3-13-30-25(9-1)11-5-16-33(30)37-40-36(41-38(42-37)34-17-6-12-26-10-2-4-14-31(26)34)28-22-20-27(21-23-28)29-15-7-19-35-32(29)18-8-24-39-35/h1-24H.
What are the key properties of 5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline?
5-[4-(4,6-dinaphthalen-1-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 5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline is sourced from PubChem (CID 122416200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).