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

C29H25N3 — CID 177113268

IUPAC2-tert-butyl-4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C29H25N3/c1-29(2,3)28-31-26(23-16-9-15-22(19-23)20-11-5-4-6-12-20)30-27(32-28)25-18-10-14-21-13-7-8-17-24(21)25/h4-19H,1-3H3
InChIKeyWTHGOHUVLVHUEZ-UHFFFAOYSA-N
MW415.54 g/mol
LogP7.32
Rot. Bonds3

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

2-tert-butyl-4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 177113268) has the molecular formula C29H25N3 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-tert-butyl-4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID177113268
Molecular FormulaC29H25N3
Molecular Weight415.54 g/mol
Exact Mass415.20
IUPAC Name2-tert-butyl-4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C29H25N3/c1-29(2,3)28-31-26(23-16-9-15-22(19-23)20-11-5-4-6-12-20)30-27(32-28)25-18-10-14-21-13-7-8-17-24(21)25/h4-19H,1-3H3
InChIKeyWTHGOHUVLVHUEZ-UHFFFAOYSA-N
XLogP7.32
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
2-tert-butyl-4-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 176842995
2-tert-butyl-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168803489
2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 177113619
2,4-dinaphthalen-1-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598334
2-tert-butyl-4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 177113429
2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 176647044
2-tert-butyl-4-phenanthren-3-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176627416
2-naphthalen-1-yl-4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 165098602
2-[3-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 169297185
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-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 176627975

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine (CID 177113268) is 2-tert-butyl-4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine is CC(C)(C)c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc3ccccc23)n1.
What is the InChIKey of 2-tert-butyl-4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is WTHGOHUVLVHUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3/c1-29(2,3)28-31-26(23-16-9-15-22(19-23)20-11-5-4-6-12-20)30-27(32-28)25-18-10-14-21-13-7-8-17-24(21)25/h4-19H,1-3H3.
What are the key properties of 2-tert-butyl-4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine?
2-tert-butyl-4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 415.54 g/mol, XLogP of 7.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 177113268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).