2-(3-methyl-3,4-dihydronaphthalen-1-yl)-4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine

C40H29N3 — CID 167188064

IUPAC2-(3-methyl-3,4-dihydronaphthalen-1-yl)-4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
SMILESCC1C=C(c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3cccc4ccccc34)n2)c2ccccc2C1
InChIInChI=1S/C40H29N3/c1-26-24-31-12-4-7-17-35(31)37(25-26)40-42-38(41-39(43-40)36-19-9-14-28-11-3-6-16-34(28)36)30-22-20-29(21-23-30)33-18-8-13-27-10-2-5-15-32(27)33/h2-23,25-26H,24H2,1H3
InChIKeyJNYOMWABICEFDK-UHFFFAOYSA-N
MW551.69 g/mol
LogP9.80
Rot. Bonds4

About 2-(3-methyl-3,4-dihydronaphthalen-1-yl)-4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine

2-(3-methyl-3,4-dihydronaphthalen-1-yl)-4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine (PubChem CID 167188064) has the molecular formula C40H29N3 and a molecular weight of 551.69 g/mol. Its IUPAC name is 2-(3-methyl-3,4-dihydronaphthalen-1-yl)-4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-methyl-3,4-dihydronaphthalen-1-yl)-4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
PubChem CID167188064
Molecular FormulaC40H29N3
Molecular Weight551.69 g/mol
Exact Mass551.24
IUPAC Name2-(3-methyl-3,4-dihydronaphthalen-1-yl)-4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
SMILESCC1C=C(c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3cccc4ccccc34)n2)c2ccccc2C1
InChIInChI=1S/C40H29N3/c1-26-24-31-12-4-7-17-35(31)37(25-26)40-42-38(41-39(43-40)36-19-9-14-28-11-3-6-16-34(28)36)30-22-20-29(21-23-30)33-18-8-13-27-10-2-5-15-32(27)33/h2-23,25-26H,24H2,1H3
InChIKeyJNYOMWABICEFDK-UHFFFAOYSA-N
XLogP9.80
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.69
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
2,4-dinaphthalen-1-yl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine
CID 122426450
2-(4-bromophenyl)-4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 142724155
5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 122416200
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302511
2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine
CID 158833777
2-(2,5-diphenylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297414
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076826
2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
CID 129265535
2-naphthalen-1-yl-4-phenyl-6-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 146890499
2-naphthalen-1-yl-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 167133977

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-3,4-dihydronaphthalen-1-yl)-4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(3-methyl-3,4-dihydronaphthalen-1-yl)-4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine (CID 167188064) is 2-(3-methyl-3,4-dihydronaphthalen-1-yl)-4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3-methyl-3,4-dihydronaphthalen-1-yl)-4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(3-methyl-3,4-dihydronaphthalen-1-yl)-4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine is CC1C=C(c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3cccc4ccccc34)n2)c2ccccc2C1.
What is the InChIKey of 2-(3-methyl-3,4-dihydronaphthalen-1-yl)-4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?
The InChIKey is JNYOMWABICEFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N3/c1-26-24-31-12-4-7-17-35(31)37(25-26)40-42-38(41-39(43-40)36-19-9-14-28-11-3-6-16-34(28)36)30-22-20-29(21-23-30)33-18-8-13-27-10-2-5-15-32(27)33/h2-23,25-26H,24H2,1H3.
What are the key properties of 2-(3-methyl-3,4-dihydronaphthalen-1-yl)-4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?
2-(3-methyl-3,4-dihydronaphthalen-1-yl)-4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine has a molecular weight of 551.69 g/mol, XLogP of 9.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-3,4-dihydronaphthalen-1-yl)-4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 167188064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).