2,4-bis(4-bromonaphthalen-1-yl)-6-chloro-1,3,5-triazine

C23H12Br2ClN3 — CID 129258763

IUPAC2,4-bis(4-bromonaphthalen-1-yl)-6-chloro-1,3,5-triazine
SMILESClc1nc(-c2ccc(Br)c3ccccc23)nc(-c2ccc(Br)c3ccccc23)n1
InChIInChI=1S/C23H12Br2ClN3/c24-19-11-9-17(13-5-1-3-7-15(13)19)21-27-22(29-23(26)28-21)18-10-12-20(25)16-8-4-2-6-14(16)18/h1-12H
InChIKeyMQKWIYRDANKTLL-UHFFFAOYSA-N
MW525.63 g/mol
LogP7.69
Rot. Bonds2

About 2,4-bis(4-bromonaphthalen-1-yl)-6-chloro-1,3,5-triazine

2,4-bis(4-bromonaphthalen-1-yl)-6-chloro-1,3,5-triazine (PubChem CID 129258763) has the molecular formula C23H12Br2ClN3 and a molecular weight of 525.63 g/mol. Its IUPAC name is 2,4-bis(4-bromonaphthalen-1-yl)-6-chloro-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-bromonaphthalen-1-yl)-6-chloro-1,3,5-triazine
PubChem CID129258763
Molecular FormulaC23H12Br2ClN3
Molecular Weight525.63 g/mol
Exact Mass522.91
IUPAC Name2,4-bis(4-bromonaphthalen-1-yl)-6-chloro-1,3,5-triazine
SMILESClc1nc(-c2ccc(Br)c3ccccc23)nc(-c2ccc(Br)c3ccccc23)n1
InChIInChI=1S/C23H12Br2ClN3/c24-19-11-9-17(13-5-1-3-7-15(13)19)21-27-22(29-23(26)28-21)18-10-12-20(25)16-8-4-2-6-14(16)18/h1-12H
InChIKeyMQKWIYRDANKTLL-UHFFFAOYSA-N
XLogP7.69
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.63
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-bis(4-bromonaphthalen-1-yl)-6-chloro-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene;2-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-chloro-4,6-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 159327927
2-(4-bromonaphthalen-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 168801574
2,4-dichloro-6-(4-methylnaphthalen-1-yl)-1,3,5-triazine
CID 71361703
1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene
CID 4530279
4-[4-(4-bromonaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 166031234
2-(4-bromonaphthalen-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 165029034
2-(4-bromonaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 146481095
1,4-dibromonaphthalene
CID 162208061
2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171439560
2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280
2,4-dichloro-6-fluoranthen-3-yl-1,3,5-triazine;fluoranthene;2,4,6-trichloro-1,3,5-triazine
CID 160640226
2-chloro-4-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 176627431

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-bromonaphthalen-1-yl)-6-chloro-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-bromonaphthalen-1-yl)-6-chloro-1,3,5-triazine (CID 129258763) is 2,4-bis(4-bromonaphthalen-1-yl)-6-chloro-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-bromonaphthalen-1-yl)-6-chloro-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-bromonaphthalen-1-yl)-6-chloro-1,3,5-triazine is Clc1nc(-c2ccc(Br)c3ccccc23)nc(-c2ccc(Br)c3ccccc23)n1.
What is the InChIKey of 2,4-bis(4-bromonaphthalen-1-yl)-6-chloro-1,3,5-triazine?
The InChIKey is MQKWIYRDANKTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12Br2ClN3/c24-19-11-9-17(13-5-1-3-7-15(13)19)21-27-22(29-23(26)28-21)18-10-12-20(25)16-8-4-2-6-14(16)18/h1-12H.
What are the key properties of 2,4-bis(4-bromonaphthalen-1-yl)-6-chloro-1,3,5-triazine?
2,4-bis(4-bromonaphthalen-1-yl)-6-chloro-1,3,5-triazine has a molecular weight of 525.63 g/mol, XLogP of 7.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-bromonaphthalen-1-yl)-6-chloro-1,3,5-triazine is sourced from PubChem (CID 129258763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).