2-[4-[[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]methyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

C51H35N3 — CID 135233807

IUPAC2-[4-[[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]methyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESCc1ccc2ccccc2c1-c1c(Cc2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)c3ccccc23)ccc2ccccc12
InChIInChI=1S/C51H35N3/c1-33-23-24-35-14-7-9-20-43(35)47(33)48-40(27-26-36-15-8-10-21-44(36)48)32-39-29-30-46(45-22-12-11-19-42(39)45)51-53-49(37-16-3-2-4-17-37)52-50(54-51)41-28-25-34-13-5-6-18-38(34)31-41/h2-31H,32H2,1H3
InChIKeyOIPBLDZFNDMPDU-UHFFFAOYSA-N
MW689.86 g/mol
LogP13.05
Rot. Bonds6

About 2-[4-[[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]methyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

2-[4-[[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]methyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 135233807) has the molecular formula C51H35N3 and a molecular weight of 689.86 g/mol. Its IUPAC name is 2-[4-[[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]methyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]methyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
PubChem CID135233807
Molecular FormulaC51H35N3
Molecular Weight689.86 g/mol
Exact Mass689.28
IUPAC Name2-[4-[[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]methyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESCc1ccc2ccccc2c1-c1c(Cc2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)c3ccccc23)ccc2ccccc12
InChIInChI=1S/C51H35N3/c1-33-23-24-35-14-7-9-20-43(35)47(33)48-40(27-26-36-15-8-10-21-44(36)48)32-39-29-30-46(45-22-12-11-19-42(39)45)51-53-49(37-16-3-2-4-17-37)52-50(54-51)41-28-25-34-13-5-6-18-38(34)31-41/h2-31H,32H2,1H3
InChIKeyOIPBLDZFNDMPDU-UHFFFAOYSA-N
XLogP13.05
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yl-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165027661
2,4-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 176632194
2-(2-methylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166656403
2-naphthalen-1-yl-4-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174244397
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 164975629
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-[7-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162157142
2-naphthalen-1-yl-4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 165098602
2-[4-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 174244175
2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 126681837
2-(4-chrysen-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-chrysen-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 157258126
2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 121287323
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588622

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]methyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]methyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (CID 135233807) is 2-[4-[[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]methyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]methyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]methyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is Cc1ccc2ccccc2c1-c1c(Cc2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)c3ccccc23)ccc2ccccc12.
What is the InChIKey of 2-[4-[[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]methyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The InChIKey is OIPBLDZFNDMPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3/c1-33-23-24-35-14-7-9-20-43(35)47(33)48-40(27-26-36-15-8-10-21-44(36)48)32-39-29-30-46(45-22-12-11-19-42(39)45)51-53-49(37-16-3-2-4-17-37)52-50(54-51)41-28-25-34-13-5-6-18-38(34)31-41/h2-31H,32H2,1H3.
What are the key properties of 2-[4-[[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]methyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
2-[4-[[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]methyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 689.86 g/mol, XLogP of 13.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]methyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 135233807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).