2-(4-butyl-2,6-dimethylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine

C29H31N3 — CID 58371157

IUPAC2-(4-butyl-2,6-dimethylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
SMILESCCCCc1cc(C)c(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(C)cc3)n2)c(C)c1
InChIInChI=1S/C29H31N3/c1-6-7-8-23-17-21(4)26(22(5)18-23)29-31-27(24-13-9-19(2)10-14-24)30-28(32-29)25-15-11-20(3)12-16-25/h9-18H,6-8H2,1-5H3
InChIKeyKVLCFYJEGUFLMG-UHFFFAOYSA-N
MW421.59 g/mol
LogP7.45
Rot. Bonds6

About 2-(4-butyl-2,6-dimethylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine

2-(4-butyl-2,6-dimethylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine (PubChem CID 58371157) has the molecular formula C29H31N3 and a molecular weight of 421.59 g/mol. Its IUPAC name is 2-(4-butyl-2,6-dimethylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-butyl-2,6-dimethylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
PubChem CID58371157
Molecular FormulaC29H31N3
Molecular Weight421.59 g/mol
Exact Mass421.25
IUPAC Name2-(4-butyl-2,6-dimethylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
SMILESCCCCc1cc(C)c(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(C)cc3)n2)c(C)c1
InChIInChI=1S/C29H31N3/c1-6-7-8-23-17-21(4)26(22(5)18-23)29-31-27(24-13-9-19(2)10-14-24)30-28(32-29)25-15-11-20(3)12-16-25/h9-18H,6-8H2,1-5H3
InChIKeyKVLCFYJEGUFLMG-UHFFFAOYSA-N
XLogP7.45
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine
CID 58250693
2-(4-butylphenyl)-4-methyl-6-(4-methylphenyl)-1,3,5-triazine;ethane
CID 145044910
2,4-bis(2,4-dimethylphenyl)-6-[4-(4-hexylphenyl)phenyl]-1,3,5-triazine
CID 118244537
4-butyl-N-[4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
CID 90265201
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
2-(3,5-dihexylphenyl)-4,6-bis(5-methylpyrimidin-2-yl)-1,3,5-triazine;2-(4-dodecylphenyl)-4,6-bis(5-methylpyrimidin-2-yl)-1,3,5-triazine
CID 159204192
5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene
CID 123525703
2-[4-[4-[4-(3,4-dimethylphenyl)-2,5-dihexylphenyl]-2-methylphenyl]phenyl]-4-(4-hexylphenyl)-6-(4-methylphenyl)-1,3,5-triazine
CID 90192426
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 59002233
2,4-bis(4,5-dimethyl-2-pyridinyl)-6-(4-hexylphenyl)-1,3,5-triazine
CID 118119401
4-(4-butylphenyl)-6-methyl-2-(4-methylphenyl)pyrimidine;N-methylaniline
CID 143881833
CID 89038222
CID 89038222

Frequently Asked Questions

What is the IUPAC name of 2-(4-butyl-2,6-dimethylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(4-butyl-2,6-dimethylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine (CID 58371157) is 2-(4-butyl-2,6-dimethylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-butyl-2,6-dimethylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-butyl-2,6-dimethylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine is CCCCc1cc(C)c(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(C)cc3)n2)c(C)c1.
What is the InChIKey of 2-(4-butyl-2,6-dimethylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine?
The InChIKey is KVLCFYJEGUFLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3/c1-6-7-8-23-17-21(4)26(22(5)18-23)29-31-27(24-13-9-19(2)10-14-24)30-28(32-29)25-15-11-20(3)12-16-25/h9-18H,6-8H2,1-5H3.
What are the key properties of 2-(4-butyl-2,6-dimethylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine?
2-(4-butyl-2,6-dimethylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine has a molecular weight of 421.59 g/mol, XLogP of 7.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-2,6-dimethylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine is sourced from PubChem (CID 58371157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).