2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine

C49H31N3 — CID 174244399

IUPAC2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)ccc3c2)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C49H31N3/c1-2-14-35-29-38(26-23-32(35)11-1)43-19-7-8-20-44(43)39-27-24-37-31-40(28-25-36(37)30-39)47-50-48(45-21-9-15-33-12-3-5-17-41(33)45)52-49(51-47)46-22-10-16-34-13-4-6-18-42(34)46/h1-31H
InChIKeyWFUTVHLLZDDLLP-UHFFFAOYSA-N
MW661.81 g/mol
LogP12.82
Rot. Bonds5

About 2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine

2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine (PubChem CID 174244399) has the molecular formula C49H31N3 and a molecular weight of 661.81 g/mol. Its IUPAC name is 2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine
PubChem CID174244399
Molecular FormulaC49H31N3
Molecular Weight661.81 g/mol
Exact Mass661.25
IUPAC Name2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)ccc3c2)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C49H31N3/c1-2-14-35-29-38(26-23-32(35)11-1)43-19-7-8-20-44(43)39-27-24-37-31-40(28-25-36(37)30-39)47-50-48(45-21-9-15-33-12-3-5-17-41(33)45)52-49(51-47)46-22-10-16-34-13-4-6-18-42(34)46/h1-31H
InChIKeyWFUTVHLLZDDLLP-UHFFFAOYSA-N
XLogP12.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.81
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yl-4-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174244397
2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
CID 164745897
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-2-ylphenyl)-1,3,5-triazine
CID 167133977
2-(3-chlorophenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 171469861
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588622
2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 169039948
2-naphthalen-1-yl-4-[3-(2-naphthalen-2-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 169297170
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-anthracen-2-yl-4-chloro-6-naphthalen-1-yl-1,3,5-triazine
CID 171598261
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

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine (CID 174244399) is 2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine is c1ccc(-c2ccc3cc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)ccc3c2)c(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine?
The InChIKey is WFUTVHLLZDDLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3/c1-2-14-35-29-38(26-23-32(35)11-1)43-19-7-8-20-44(43)39-27-24-37-31-40(28-25-36(37)30-39)47-50-48(45-21-9-15-33-12-3-5-17-41(33)45)52-49(51-47)46-22-10-16-34-13-4-6-18-42(34)46/h1-31H.
What are the key properties of 2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine?
2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine has a molecular weight of 661.81 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine is sourced from PubChem (CID 174244399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).