2,4,6-tris(3-chloronaphthalen-2-yl)-1,3,5-triazine

C33H18Cl3N3 — CID 134998345

IUPAC2,4,6-tris(3-chloronaphthalen-2-yl)-1,3,5-triazine
SMILESClc1cc2ccccc2cc1-c1nc(-c2cc3ccccc3cc2Cl)nc(-c2cc3ccccc3cc2Cl)n1
InChIInChI=1S/C33H18Cl3N3/c34-28-16-22-10-4-1-7-19(22)13-25(28)31-37-32(26-14-20-8-2-5-11-23(20)17-29(26)35)39-33(38-31)27-15-21-9-3-6-12-24(21)18-30(27)36/h1-18H
InChIKeySCPQGZAKMQATQB-UHFFFAOYSA-N
MW562.89 g/mol
LogP10.29
Rot. Bonds3

About 2,4,6-tris(3-chloronaphthalen-2-yl)-1,3,5-triazine

2,4,6-tris(3-chloronaphthalen-2-yl)-1,3,5-triazine (PubChem CID 134998345) has the molecular formula C33H18Cl3N3 and a molecular weight of 562.89 g/mol. Its IUPAC name is 2,4,6-tris(3-chloronaphthalen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(3-chloronaphthalen-2-yl)-1,3,5-triazine
PubChem CID134998345
Molecular FormulaC33H18Cl3N3
Molecular Weight562.89 g/mol
Exact Mass561.06
IUPAC Name2,4,6-tris(3-chloronaphthalen-2-yl)-1,3,5-triazine
SMILESClc1cc2ccccc2cc1-c1nc(-c2cc3ccccc3cc2Cl)nc(-c2cc3ccccc3cc2Cl)n1
InChIInChI=1S/C33H18Cl3N3/c34-28-16-22-10-4-1-7-19(22)13-25(28)31-37-32(26-14-20-8-2-5-11-23(20)17-29(26)35)39-33(38-31)27-15-21-9-3-6-12-24(21)18-30(27)36/h1-18H
InChIKeySCPQGZAKMQATQB-UHFFFAOYSA-N
XLogP10.29
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.89
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-Chloro-2-naphthalenyl)-1,3,5-triazine-2,4-diamine
CID 11971100
2,4-Dichloro-6-pyren-1-yl-1,3,5-triazine
CID 76698
2-Chloro-4,6-di(naphthalen-1-yl)-1,3,5-triazine
CID 23546878
2-(3'-Chlorobiphenyl-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 90177101
2-(4'-Chlorobiphenyl-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 90177143
2-(3'-Chlorobiphenyl-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 91972125
2-Chloro-4-(naphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 118652415
2-(p-Chlorophenyl)-4,6-di(p-tolyl)-1,3,5-triazine
CID 576098
2,4,6-Tris[4-(naphthalen-1-yl)phenyl]-1,3,5-triazine
CID 69407532
2,4-Bis(3-anthracen-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 101520682
2,4-Bis(3-anthracen-9-ylphenyl)-6-(4-anthracen-9-ylphenyl)-1,3,5-triazine
CID 101520684
2,4-Diphenyl-6-[3-(2-triphenylenyl)phenyl]-1,3,5-triazine
CID 118014055

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(3-chloronaphthalen-2-yl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(3-chloronaphthalen-2-yl)-1,3,5-triazine (CID 134998345) is 2,4,6-tris(3-chloronaphthalen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(3-chloronaphthalen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(3-chloronaphthalen-2-yl)-1,3,5-triazine is Clc1cc2ccccc2cc1-c1nc(-c2cc3ccccc3cc2Cl)nc(-c2cc3ccccc3cc2Cl)n1.
What is the InChIKey of 2,4,6-tris(3-chloronaphthalen-2-yl)-1,3,5-triazine?
The InChIKey is SCPQGZAKMQATQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18Cl3N3/c34-28-16-22-10-4-1-7-19(22)13-25(28)31-37-32(26-14-20-8-2-5-11-23(20)17-29(26)35)39-33(38-31)27-15-21-9-3-6-12-24(21)18-30(27)36/h1-18H.
What are the key properties of 2,4,6-tris(3-chloronaphthalen-2-yl)-1,3,5-triazine?
2,4,6-tris(3-chloronaphthalen-2-yl)-1,3,5-triazine has a molecular weight of 562.89 g/mol, XLogP of 10.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(3-chloronaphthalen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 134998345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).