2-(4-naphthalen-2-ylnaphthalen-1-yl)-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine

C59H37N3 — CID 177076782

IUPAC2-(4-naphthalen-2-ylnaphthalen-1-yl)-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3cccc(-c4nc(-c5ccc6cc(-c7cccc8ccccc78)ccc6c5)nc(-c5ccc(-c6ccc7ccccc7c6)c6ccccc56)n4)c3c2)cc1
InChIInChI=1S/C59H37N3/c1-2-12-38(13-3-1)45-26-25-41-18-11-23-54(56(41)37-45)58-60-57(48-31-28-43-35-46(30-27-44(43)36-48)50-22-10-17-40-15-6-7-19-49(40)50)61-59(62-58)55-33-32-51(52-20-8-9-21-53(52)55)47-29-24-39-14-4-5-16-42(39)34-47/h1-37H
InChIKeyBMHIQKYVIRVQBP-UHFFFAOYSA-N
MW787.97 g/mol
LogP15.64
Rot. Bonds6

About 2-(4-naphthalen-2-ylnaphthalen-1-yl)-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine

2-(4-naphthalen-2-ylnaphthalen-1-yl)-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 177076782) has the molecular formula C59H37N3 and a molecular weight of 787.97 g/mol. Its IUPAC name is 2-(4-naphthalen-2-ylnaphthalen-1-yl)-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-naphthalen-2-ylnaphthalen-1-yl)-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine
PubChem CID177076782
Molecular FormulaC59H37N3
Molecular Weight787.97 g/mol
Exact Mass787.30
IUPAC Name2-(4-naphthalen-2-ylnaphthalen-1-yl)-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3cccc(-c4nc(-c5ccc6cc(-c7cccc8ccccc78)ccc6c5)nc(-c5ccc(-c6ccc7ccccc7c6)c6ccccc56)n4)c3c2)cc1
InChIInChI=1S/C59H37N3/c1-2-12-38(13-3-1)45-26-25-41-18-11-23-54(56(41)37-45)58-60-57(48-31-28-43-35-46(30-27-44(43)36-48)50-22-10-17-40-15-6-7-19-49(40)50)61-59(62-58)55-33-32-51(52-20-8-9-21-53(52)55)47-29-24-39-14-4-5-16-42(39)34-47/h1-37H
InChIKeyBMHIQKYVIRVQBP-UHFFFAOYSA-N
XLogP15.64
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.97
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(4-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180017
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4,6-bis(7-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076797
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588622
2-naphthalen-1-yl-4-(7-naphthalen-2-ylnaphthalen-1-yl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 176588060
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302511
2-naphthalen-1-yl-4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 165098602
2,4-dinaphthalen-1-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598334
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076826
2-(5-naphthalen-2-ylnaphthalen-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 176588131
2-naphthalen-1-yl-4-[3-(2-naphthalen-2-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 169297170
2-naphthalen-1-yl-4-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174244397

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-2-ylnaphthalen-1-yl)-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(4-naphthalen-2-ylnaphthalen-1-yl)-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine (CID 177076782) is 2-(4-naphthalen-2-ylnaphthalen-1-yl)-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-naphthalen-2-ylnaphthalen-1-yl)-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(4-naphthalen-2-ylnaphthalen-1-yl)-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine is c1ccc(-c2ccc3cccc(-c4nc(-c5ccc6cc(-c7cccc8ccccc78)ccc6c5)nc(-c5ccc(-c6ccc7ccccc7c6)c6ccccc56)n4)c3c2)cc1.
What is the InChIKey of 2-(4-naphthalen-2-ylnaphthalen-1-yl)-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is BMHIQKYVIRVQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3/c1-2-12-38(13-3-1)45-26-25-41-18-11-23-54(56(41)37-45)58-60-57(48-31-28-43-35-46(30-27-44(43)36-48)50-22-10-17-40-15-6-7-19-49(40)50)61-59(62-58)55-33-32-51(52-20-8-9-21-53(52)55)47-29-24-39-14-4-5-16-42(39)34-47/h1-37H.
What are the key properties of 2-(4-naphthalen-2-ylnaphthalen-1-yl)-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine?
2-(4-naphthalen-2-ylnaphthalen-1-yl)-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 787.97 g/mol, XLogP of 15.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-2-ylnaphthalen-1-yl)-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 177076782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).