2,4-bis[3-chloro-5-(4-methylphenyl)phenyl]-6-phenyl-1,3,5-triazine

C35H25Cl2N3 — CID 58526492

IUPAC2,4-bis[3-chloro-5-(4-methylphenyl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCc1ccc(-c2cc(Cl)cc(-c3nc(-c4ccccc4)nc(-c4cc(Cl)cc(-c5ccc(C)cc5)c4)n3)c2)cc1
InChIInChI=1S/C35H25Cl2N3/c1-22-8-12-24(13-9-22)27-16-29(20-31(36)18-27)34-38-33(26-6-4-3-5-7-26)39-35(40-34)30-17-28(19-32(37)21-30)25-14-10-23(2)11-15-25/h3-21H,1-2H3
InChIKeyBDYQYZLDSVQQJR-UHFFFAOYSA-N
MW558.51 g/mol
LogP10.13
Rot. Bonds5

About 2,4-bis[3-chloro-5-(4-methylphenyl)phenyl]-6-phenyl-1,3,5-triazine

2,4-bis[3-chloro-5-(4-methylphenyl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 58526492) has the molecular formula C35H25Cl2N3 and a molecular weight of 558.51 g/mol. Its IUPAC name is 2,4-bis[3-chloro-5-(4-methylphenyl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis[3-chloro-5-(4-methylphenyl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID58526492
Molecular FormulaC35H25Cl2N3
Molecular Weight558.51 g/mol
Exact Mass557.14
IUPAC Name2,4-bis[3-chloro-5-(4-methylphenyl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCc1ccc(-c2cc(Cl)cc(-c3nc(-c4ccccc4)nc(-c4cc(Cl)cc(-c5ccc(C)cc5)c4)n3)c2)cc1
InChIInChI=1S/C35H25Cl2N3/c1-22-8-12-24(13-9-22)27-16-29(20-31(36)18-27)34-38-33(26-6-4-3-5-7-26)39-35(40-34)30-17-28(19-32(37)21-30)25-14-10-23(2)11-15-25/h3-21H,1-2H3
InChIKeyBDYQYZLDSVQQJR-UHFFFAOYSA-N
XLogP10.13
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.51
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tris-biphenyl triazine
CID 11628027
1,3,5-Triazine, 2-chloro-4,6-bis(2,4-dimethylphenyl)-
CID 71059
2,4-Dichloro-6-pyren-1-yl-1,3,5-triazine
CID 76698
2,4-Bis(4-biphenylyl)-6-chloro-1,3,5-triazine
CID 22476006
2,4,6-Tris(4-chlorophenyl)-1,3,5-triazine
CID 18373
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-([1,1'-Biphenyl]-4-yl)-4-chloro-6-phenyl-1,3,5-triazine
CID 117770458
2-([1,1'-Biphenyl]-3-yl)-4-chloro-6-phenyl-1,3,5-triazine
CID 117991326
2-Chloro-4-(3-chlorophenyl)-6-phenyl-1,3,5-triazine
CID 135383450
2,4,6-Tris(2,4-dimethylphenyl)-1,3,5-triazine
CID 22475988

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[3-chloro-5-(4-methylphenyl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2,4-bis[3-chloro-5-(4-methylphenyl)phenyl]-6-phenyl-1,3,5-triazine (CID 58526492) is 2,4-bis[3-chloro-5-(4-methylphenyl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2,4-bis[3-chloro-5-(4-methylphenyl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2,4-bis[3-chloro-5-(4-methylphenyl)phenyl]-6-phenyl-1,3,5-triazine is Cc1ccc(-c2cc(Cl)cc(-c3nc(-c4ccccc4)nc(-c4cc(Cl)cc(-c5ccc(C)cc5)c4)n3)c2)cc1.
What is the InChIKey of 2,4-bis[3-chloro-5-(4-methylphenyl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is BDYQYZLDSVQQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25Cl2N3/c1-22-8-12-24(13-9-22)27-16-29(20-31(36)18-27)34-38-33(26-6-4-3-5-7-26)39-35(40-34)30-17-28(19-32(37)21-30)25-14-10-23(2)11-15-25/h3-21H,1-2H3.
What are the key properties of 2,4-bis[3-chloro-5-(4-methylphenyl)phenyl]-6-phenyl-1,3,5-triazine?
2,4-bis[3-chloro-5-(4-methylphenyl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 558.51 g/mol, XLogP of 10.13, 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-(4-methylphenyl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 58526492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).