2-chloro-4-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine

C31H20ClN3 — CID 176627431

IUPAC2-chloro-4-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(-c3nc(Cl)nc(-c4ccccc4-c4ccccc4)n3)c3ccccc23)c([2H])c1[2H]
InChIInChI=1S/C31H20ClN3/c32-31-34-29(27-18-10-7-15-23(27)21-11-3-1-4-12-21)33-30(35-31)28-20-19-24(22-13-5-2-6-14-22)25-16-8-9-17-26(25)28/h1-20H/i2D,5D,6D,13D,14D
InChIKeyYLVFACWZCQOQCO-LTTLSEBRSA-N
MW475.01 g/mol
LogP8.35
Rot. Bonds4

About 2-chloro-4-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine

2-chloro-4-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 176627431) has the molecular formula C31H20ClN3 and a molecular weight of 475.01 g/mol. Its IUPAC name is 2-chloro-4-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine
PubChem CID176627431
Molecular FormulaC31H20ClN3
Molecular Weight475.01 g/mol
Exact Mass474.17
IUPAC Name2-chloro-4-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(-c3nc(Cl)nc(-c4ccccc4-c4ccccc4)n3)c3ccccc23)c([2H])c1[2H]
InChIInChI=1S/C31H20ClN3/c32-31-34-29(27-18-10-7-15-23(27)21-11-3-1-4-12-21)33-30(35-31)28-20-19-24(22-13-5-2-6-14-22)25-16-8-9-17-26(25)28/h1-20H/i2D,5D,6D,13D,14D
InChIKeyYLVFACWZCQOQCO-LTTLSEBRSA-N
XLogP8.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.01
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-naphthalen-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 170691103
2-chloro-4-(3-naphthalen-1-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171730934
2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171439560
2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 126755474
2-[5-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166022151
2-chloro-4-(4-phenylphenyl)-6-(6,7,8,9-tetradeuteriodibenzofuran-4-yl)-1,3,5-triazine
CID 168953715
2-chloro-4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177278886
2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280
2-naphtho[2,3-b][1]benzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 163487301
2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-1,3,5-triazine
CID 176767502
2-(2-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 176831507
2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 177278821

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine (CID 176627431) is 2-chloro-4-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine is [2H]c1c([2H])c([2H])c(-c2ccc(-c3nc(Cl)nc(-c4ccccc4-c4ccccc4)n3)c3ccccc23)c([2H])c1[2H].
What is the InChIKey of 2-chloro-4-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is YLVFACWZCQOQCO-LTTLSEBRSA-N. The full InChI is InChI=1S/C31H20ClN3/c32-31-34-29(27-18-10-7-15-23(27)21-11-3-1-4-12-21)33-30(35-31)28-20-19-24(22-13-5-2-6-14-22)25-16-8-9-17-26(25)28/h1-20H/i2D,5D,6D,13D,14D.
What are the key properties of 2-chloro-4-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine?
2-chloro-4-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 475.01 g/mol, XLogP of 8.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 176627431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).