2-tert-butyl-4-chloro-6-(4-phenylphenyl)-1,3,5-triazine

C19H18ClN3 — CID 156828221

IUPAC2-tert-butyl-4-chloro-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1nc(Cl)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C19H18ClN3/c1-19(2,3)17-21-16(22-18(20)23-17)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyFOYXRBZGJJHOKD-UHFFFAOYSA-N
MW323.83 g/mol
LogP5.16
Rot. Bonds2

About 2-tert-butyl-4-chloro-6-(4-phenylphenyl)-1,3,5-triazine

2-tert-butyl-4-chloro-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 156828221) has the molecular formula C19H18ClN3 and a molecular weight of 323.83 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID156828221
Molecular FormulaC19H18ClN3
Molecular Weight323.83 g/mol
Exact Mass323.12
IUPAC Name2-tert-butyl-4-chloro-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1nc(Cl)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C19H18ClN3/c1-19(2,3)17-21-16(22-18(20)23-17)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyFOYXRBZGJJHOKD-UHFFFAOYSA-N
XLogP5.16
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.83
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252344
2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 22476006
2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 176647044
2-tert-butyl-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168803489
2,4-ditert-butyl-6-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 176843132
2-tert-butyl-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
CID 164819251
2,2-bis(4-chloro-6-phenyl-1,3,5-triazin-2-yl)propane-1,3-diamine
CID 175915412
2-tert-butyl-4-phenyl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine
CID 168803765
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
2-tert-butyl-4-phenanthren-3-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176627416
2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 142751330
2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 177113619

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-4-chloro-6-(4-phenylphenyl)-1,3,5-triazine (CID 156828221) is 2-tert-butyl-4-chloro-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-(4-phenylphenyl)-1,3,5-triazine is CC(C)(C)c1nc(Cl)nc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 2-tert-butyl-4-chloro-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is FOYXRBZGJJHOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3/c1-19(2,3)17-21-16(22-18(20)23-17)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3.
What are the key properties of 2-tert-butyl-4-chloro-6-(4-phenylphenyl)-1,3,5-triazine?
2-tert-butyl-4-chloro-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 323.83 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 156828221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).