2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine

C49H31N3 — CID 177076868

IUPAC2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2cccc3cccc(-c4nc(-c5ccc6cc(-c7cccc8ccccc78)ccc6c5)nc(-c5cccc6ccccc56)n4)c23)cc1
InChIInChI=1S/C49H31N3/c1-2-12-34(13-3-1)43-23-10-18-35-19-11-25-45(46(35)43)49-51-47(50-48(52-49)44-24-9-17-33-15-5-7-21-41(33)44)39-29-27-36-30-38(28-26-37(36)31-39)42-22-8-16-32-14-4-6-20-40(32)42/h1-31H
InChIKeyADBDIDYBQHOYMR-UHFFFAOYSA-N
MW661.81 g/mol
LogP12.82
Rot. Bonds5

About 2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine

2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 177076868) has the molecular formula C49H31N3 and a molecular weight of 661.81 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine
PubChem CID177076868
Molecular FormulaC49H31N3
Molecular Weight661.81 g/mol
Exact Mass661.25
IUPAC Name2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2cccc3cccc(-c4nc(-c5ccc6cc(-c7cccc8ccccc78)ccc6c5)nc(-c5cccc6ccccc56)n4)c23)cc1
InChIInChI=1S/C49H31N3/c1-2-12-34(13-3-1)43-23-10-18-35-19-11-25-45(46(35)43)49-51-47(50-48(52-49)44-24-9-17-33-15-5-7-21-41(33)44)39-29-27-36-30-38(28-26-37(36)31-39)42-22-8-16-32-14-4-6-20-40(32)42/h1-31H
InChIKeyADBDIDYBQHOYMR-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-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076845
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076826
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-[2-(2-naphthalen-1-ylphenyl)phenyl]-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076866
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-(4-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180017
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302511
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(8-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine
CID 177076732
2-naphthalen-1-yl-4-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174244397
2,4-dinaphthalen-1-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598334
2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 174244399
2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
CID 164745897
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

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine (CID 177076868) is 2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine is c1ccc(-c2cccc3cccc(-c4nc(-c5ccc6cc(-c7cccc8ccccc78)ccc6c5)nc(-c5cccc6ccccc56)n4)c23)cc1.
What is the InChIKey of 2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is ADBDIDYBQHOYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3/c1-2-12-34(13-3-1)43-23-10-18-35-19-11-25-45(46(35)43)49-51-47(50-48(52-49)44-24-9-17-33-15-5-7-21-41(33)44)39-29-27-36-30-38(28-26-37(36)31-39)42-22-8-16-32-14-4-6-20-40(32)42/h1-31H.
What are the key properties of 2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine?
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(8-phenylnaphthalen-1-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-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 177076868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).