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

C43H27N3 — CID 164745897

IUPAC2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5cc(-c6cccc7ccccc67)ccc5c4)n3)ccc2c1
InChIInChI=1S/C43H27N3/c1-3-11-31-25-36(21-16-28(31)8-1)41-44-42(37-22-17-29-9-2-4-12-32(29)26-37)46-43(45-41)38-23-19-33-24-35(20-18-34(33)27-38)40-15-7-13-30-10-5-6-14-39(30)40/h1-27H
InChIKeyVMMMTQYXACPLRI-UHFFFAOYSA-N
MW585.71 g/mol
LogP11.15
Rot. Bonds4

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

2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine (PubChem CID 164745897) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
PubChem CID164745897
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5cc(-c6cccc7ccccc67)ccc5c4)n3)ccc2c1
InChIInChI=1S/C43H27N3/c1-3-11-31-25-36(21-16-28(31)8-1)41-44-42(37-22-17-29-9-2-4-12-32(29)26-37)46-43(45-41)38-23-19-33-24-35(20-18-34(33)27-38)40-15-7-13-30-10-5-6-14-39(30)40/h1-27H
InChIKeyVMMMTQYXACPLRI-UHFFFAOYSA-N
XLogP11.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 174244399
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-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174244397
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588622
2,4-dinaphthalen-2-yl-6-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 122416036
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-[8-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 174244524
2-naphthalen-1-yl-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 167133977
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-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166022163
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169302485
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine (CID 164745897) is 2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine is c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5cc(-c6cccc7ccccc67)ccc5c4)n3)ccc2c1.
What is the InChIKey of 2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine?
The InChIKey is VMMMTQYXACPLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c1-3-11-31-25-36(21-16-28(31)8-1)41-44-42(37-22-17-29-9-2-4-12-32(29)26-37)46-43(45-41)38-23-19-33-24-35(20-18-34(33)27-38)40-15-7-13-30-10-5-6-14-39(30)40/h1-27H.
What are the key properties of 2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine?
2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine has a molecular weight of 585.71 g/mol, XLogP of 11.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 164745897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).