2-(3-bromo-5-chlorophenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine

C31H19BrClN3 — CID 146789026

IUPAC2-(3-bromo-5-chlorophenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESClc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccccc5c4)cc3)n2)c1
InChIInChI=1S/C31H19BrClN3/c32-27-17-26(18-28(33)19-27)31-35-29(22-7-2-1-3-8-22)34-30(36-31)23-13-10-21(11-14-23)25-15-12-20-6-4-5-9-24(20)16-25/h1-19H
InChIKeyRVLIXFBDYIABMW-UHFFFAOYSA-N
MW548.87 g/mol
LogP9.11
Rot. Bonds4

About 2-(3-bromo-5-chlorophenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine

2-(3-bromo-5-chlorophenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 146789026) has the molecular formula C31H19BrClN3 and a molecular weight of 548.87 g/mol. Its IUPAC name is 2-(3-bromo-5-chlorophenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-bromo-5-chlorophenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID146789026
Molecular FormulaC31H19BrClN3
Molecular Weight548.87 g/mol
Exact Mass547.05
IUPAC Name2-(3-bromo-5-chlorophenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESClc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccccc5c4)cc3)n2)c1
InChIInChI=1S/C31H19BrClN3/c32-27-17-26(18-28(33)19-27)31-35-29(22-7-2-1-3-8-22)34-30(36-31)23-13-10-21(11-14-23)25-15-12-20-6-4-5-9-24(20)16-25/h1-19H
InChIKeyRVLIXFBDYIABMW-UHFFFAOYSA-N
XLogP9.11
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.87
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine
CID 44138766
2-(3'-Bromo-[1,1'-biphenyl]-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 90135706
2-(3'-Chlorobiphenyl-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 90177101
2-(3'-Chlorobiphenyl-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 91972125
2,4-Di(4-biphenylyl)-6-(3-bromophenyl)-1,3,5-triazine
CID 90401467
2-(3-Bromo-5-chlorophenyl)-4,6-bis(4-fluorophenyl)-1,3,5-triazine
CID 140308092
2-(4-Bromo-3-fluorophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 156563901
2-(3-Chloro-4-fluorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 162486317
2-(3-Chloro-4-fluorophenyl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 162486353
2,4,6-Tris(3-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,5-triazine
CID 134998344
2,4,6-Tris(3-chloronaphthalen-2-yl)-1,3,5-triazine
CID 134998345
2-(3,5-Dibromophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 58382631

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chlorophenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(3-bromo-5-chlorophenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine (CID 146789026) is 2-(3-bromo-5-chlorophenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-bromo-5-chlorophenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-bromo-5-chlorophenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine is Clc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccccc5c4)cc3)n2)c1.
What is the InChIKey of 2-(3-bromo-5-chlorophenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is RVLIXFBDYIABMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19BrClN3/c32-27-17-26(18-28(33)19-27)31-35-29(22-7-2-1-3-8-22)34-30(36-31)23-13-10-21(11-14-23)25-15-12-20-6-4-5-9-24(20)16-25/h1-19H.
What are the key properties of 2-(3-bromo-5-chlorophenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine?
2-(3-bromo-5-chlorophenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 548.87 g/mol, XLogP of 9.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chlorophenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 146789026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).