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

C55H35N3 — CID 177076797

IUPAC2-(7-naphthalen-2-ylnaphthalen-2-yl)-4,6-bis(7-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3cccc(-c4nc(-c5ccc6ccc(-c7ccc8ccccc8c7)cc6c5)nc(-c5cccc6ccc(-c7ccccc7)cc56)n4)c3c2)cc1
InChIInChI=1S/C55H35N3/c1-3-11-36(12-4-1)45-28-24-40-17-9-19-49(51(40)34-45)54-56-53(57-55(58-54)50-20-10-18-41-25-29-46(35-52(41)50)37-13-5-2-6-14-37)47-30-23-39-22-27-44(32-48(39)33-47)43-26-21-38-15-7-8-16-42(38)31-43/h1-35H
InChIKeyLMMBOKLURQSWDB-UHFFFAOYSA-N
MW737.91 g/mol
LogP14.49
Rot. Bonds6

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

2-(7-naphthalen-2-ylnaphthalen-2-yl)-4,6-bis(7-phenylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 177076797) has the molecular formula C55H35N3 and a molecular weight of 737.91 g/mol. Its IUPAC name is 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4,6-bis(7-phenylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(7-naphthalen-2-ylnaphthalen-2-yl)-4,6-bis(7-phenylnaphthalen-1-yl)-1,3,5-triazine
PubChem CID177076797
Molecular FormulaC55H35N3
Molecular Weight737.91 g/mol
Exact Mass737.28
IUPAC Name2-(7-naphthalen-2-ylnaphthalen-2-yl)-4,6-bis(7-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3cccc(-c4nc(-c5ccc6ccc(-c7ccc8ccccc8c7)cc6c5)nc(-c5cccc6ccc(-c7ccccc7)cc56)n4)c3c2)cc1
InChIInChI=1S/C55H35N3/c1-3-11-36(12-4-1)45-28-24-40-17-9-19-49(51(40)34-45)54-56-53(57-55(58-54)50-20-10-18-41-25-29-46(35-52(41)50)37-13-5-2-6-14-37)47-30-23-39-22-27-44(32-48(39)33-47)43-26-21-38-15-7-8-16-42(38)31-43/h1-35H
InChIKeyLMMBOKLURQSWDB-UHFFFAOYSA-N
XLogP14.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.91
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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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-(4-naphthalen-2-ylnaphthalen-1-yl)-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076782
2-naphthalen-1-yl-4-(7-naphthalen-2-ylnaphthalen-1-yl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 176588060
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-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(3-naphthalen-2-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076693
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076754
2,4-di(phenanthren-1-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598281
2-phenanthren-1-yl-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 171598360
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-(4-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180017
2-(5-naphthalen-2-ylnaphthalen-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 176588131

Frequently Asked Questions

What is the IUPAC name of 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4,6-bis(7-phenylnaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4,6-bis(7-phenylnaphthalen-1-yl)-1,3,5-triazine (CID 177076797) is 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4,6-bis(7-phenylnaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4,6-bis(7-phenylnaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4,6-bis(7-phenylnaphthalen-1-yl)-1,3,5-triazine is c1ccc(-c2ccc3cccc(-c4nc(-c5ccc6ccc(-c7ccc8ccccc8c7)cc6c5)nc(-c5cccc6ccc(-c7ccccc7)cc56)n4)c3c2)cc1.
What is the InChIKey of 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4,6-bis(7-phenylnaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is LMMBOKLURQSWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3/c1-3-11-36(12-4-1)45-28-24-40-17-9-19-49(51(40)34-45)54-56-53(57-55(58-54)50-20-10-18-41-25-29-46(35-52(41)50)37-13-5-2-6-14-37)47-30-23-39-22-27-44(32-48(39)33-47)43-26-21-38-15-7-8-16-42(38)31-43/h1-35H.
What are the key properties of 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4,6-bis(7-phenylnaphthalen-1-yl)-1,3,5-triazine?
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4,6-bis(7-phenylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 737.91 g/mol, XLogP of 14.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4,6-bis(7-phenylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 177076797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).