2,4-bis(3-chloro-5-phenylphenyl)-6-(4-methylphenyl)-1,3,5-triazine

C34H23Cl2N3 — CID 58526513

IUPAC2,4-bis(3-chloro-5-phenylphenyl)-6-(4-methylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3cc(Cl)cc(-c4ccccc4)c3)nc(-c3cc(Cl)cc(-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C34H23Cl2N3/c1-22-12-14-25(15-13-22)32-37-33(28-16-26(18-30(35)20-28)23-8-4-2-5-9-23)39-34(38-32)29-17-27(19-31(36)21-29)24-10-6-3-7-11-24/h2-21H,1H3
InChIKeyNTLNNYYZHJNGMS-UHFFFAOYSA-N
MW544.49 g/mol
LogP9.82
Rot. Bonds5

About 2,4-bis(3-chloro-5-phenylphenyl)-6-(4-methylphenyl)-1,3,5-triazine

2,4-bis(3-chloro-5-phenylphenyl)-6-(4-methylphenyl)-1,3,5-triazine (PubChem CID 58526513) has the molecular formula C34H23Cl2N3 and a molecular weight of 544.49 g/mol. Its IUPAC name is 2,4-bis(3-chloro-5-phenylphenyl)-6-(4-methylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(3-chloro-5-phenylphenyl)-6-(4-methylphenyl)-1,3,5-triazine
PubChem CID58526513
Molecular FormulaC34H23Cl2N3
Molecular Weight544.49 g/mol
Exact Mass543.13
IUPAC Name2,4-bis(3-chloro-5-phenylphenyl)-6-(4-methylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3cc(Cl)cc(-c4ccccc4)c3)nc(-c3cc(Cl)cc(-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C34H23Cl2N3/c1-22-12-14-25(15-13-22)32-37-33(28-16-26(18-30(35)20-28)23-8-4-2-5-9-23)39-34(38-32)29-17-27(19-31(36)21-29)24-10-6-3-7-11-24/h2-21H,1H3
InChIKeyNTLNNYYZHJNGMS-UHFFFAOYSA-N
XLogP9.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.49
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-chloro-5-phenylphenyl)-6-(4-methylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(3-chloro-5-phenylphenyl)-6-(4-methylphenyl)-1,3,5-triazine (CID 58526513) is 2,4-bis(3-chloro-5-phenylphenyl)-6-(4-methylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(3-chloro-5-phenylphenyl)-6-(4-methylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(3-chloro-5-phenylphenyl)-6-(4-methylphenyl)-1,3,5-triazine is Cc1ccc(-c2nc(-c3cc(Cl)cc(-c4ccccc4)c3)nc(-c3cc(Cl)cc(-c4ccccc4)c3)n2)cc1.
What is the InChIKey of 2,4-bis(3-chloro-5-phenylphenyl)-6-(4-methylphenyl)-1,3,5-triazine?
The InChIKey is NTLNNYYZHJNGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23Cl2N3/c1-22-12-14-25(15-13-22)32-37-33(28-16-26(18-30(35)20-28)23-8-4-2-5-9-23)39-34(38-32)29-17-27(19-31(36)21-29)24-10-6-3-7-11-24/h2-21H,1H3.
What are the key properties of 2,4-bis(3-chloro-5-phenylphenyl)-6-(4-methylphenyl)-1,3,5-triazine?
2,4-bis(3-chloro-5-phenylphenyl)-6-(4-methylphenyl)-1,3,5-triazine has a molecular weight of 544.49 g/mol, XLogP of 9.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-chloro-5-phenylphenyl)-6-(4-methylphenyl)-1,3,5-triazine is sourced from PubChem (CID 58526513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).