4-chloro-1-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)phthalazine

C24H15ClN2 — CID 142505072

IUPAC4-chloro-1-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)phthalazine
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c(-c4ccc5ccccc5c4)nnc(Cl)c3c2)c([2H])c1[2H]
InChIInChI=1S/C24H15ClN2/c25-24-22-15-19(16-6-2-1-3-7-16)12-13-21(22)23(26-27-24)20-11-10-17-8-4-5-9-18(17)14-20/h1-15H/i1D,2D,3D,6D,7D
InChIKeyBRBZPOVBLQKMKT-FSTBWYLISA-N
MW371.88 g/mol
LogP6.77
Rot. Bonds2

About 4-chloro-1-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)phthalazine

4-chloro-1-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)phthalazine (PubChem CID 142505072) has the molecular formula C24H15ClN2 and a molecular weight of 371.88 g/mol. Its IUPAC name is 4-chloro-1-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)phthalazine.

Molecular Properties

Compound Name4-chloro-1-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)phthalazine
PubChem CID142505072
Molecular FormulaC24H15ClN2
Molecular Weight371.88 g/mol
Exact Mass371.12
IUPAC Name4-chloro-1-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)phthalazine
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c(-c4ccc5ccccc5c4)nnc(Cl)c3c2)c([2H])c1[2H]
InChIInChI=1S/C24H15ClN2/c25-24-22-15-19(16-6-2-1-3-7-16)12-13-21(22)23(26-27-24)20-11-10-17-8-4-5-9-18(17)14-20/h1-15H/i1D,2D,3D,6D,7D
InChIKeyBRBZPOVBLQKMKT-FSTBWYLISA-N
XLogP6.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.88
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine
CID 164970097
1-(3-naphthalen-2-ylphenyl)-6-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyrene
CID 170778671
10-bromo-9-naphthalen-2-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 142716268
2-chloro-4-naphthalen-2-yl-6-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
CID 171731211
1,2,3,4-tetradeuterio-6,9,10-trinaphthalen-2-ylanthracene
CID 58518603
2-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)phenyl]triphenylene
CID 162703120
1-naphthalen-2-yl-6-[2-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracen-9-yl]pyrene
CID 171415202
1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-2-yl-10-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)anthracene
CID 167407292
2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazine;2,4,6-tris(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 165016718
2-chloro-4-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-6-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
CID 171587082
3-naphthalen-2-yl-7-[6-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran
CID 167405579
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-naphthalen-2-ylnaphthalen-1-yl)phenyl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 176646952

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)phthalazine?
The IUPAC name of 4-chloro-1-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)phthalazine (CID 142505072) is 4-chloro-1-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)phthalazine.
What is the SMILES notation for 4-chloro-1-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)phthalazine?
The canonical SMILES for 4-chloro-1-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)phthalazine is [2H]c1c([2H])c([2H])c(-c2ccc3c(-c4ccc5ccccc5c4)nnc(Cl)c3c2)c([2H])c1[2H].
What is the InChIKey of 4-chloro-1-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)phthalazine?
The InChIKey is BRBZPOVBLQKMKT-FSTBWYLISA-N. The full InChI is InChI=1S/C24H15ClN2/c25-24-22-15-19(16-6-2-1-3-7-16)12-13-21(22)23(26-27-24)20-11-10-17-8-4-5-9-18(17)14-20/h1-15H/i1D,2D,3D,6D,7D.
What are the key properties of 4-chloro-1-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)phthalazine?
4-chloro-1-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)phthalazine has a molecular weight of 371.88 g/mol, XLogP of 6.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)phthalazine is sourced from PubChem (CID 142505072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).