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

C33H27N3 — CID 176627416

IUPAC2-tert-butyl-4-phenanthren-3-yl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc3ccc4ccccc4c3c2)n1
InChIInChI=1S/C33H27N3/c1-33(2,3)32-35-30(26-18-13-23(14-19-26)22-9-5-4-6-10-22)34-31(36-32)27-20-17-25-16-15-24-11-7-8-12-28(24)29(25)21-27/h4-21H,1-3H3
InChIKeyGZXMNLBYLIWKIE-UHFFFAOYSA-N
MW465.60 g/mol
LogP8.48
Rot. Bonds3

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

2-tert-butyl-4-phenanthren-3-yl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 176627416) has the molecular formula C33H27N3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 2-tert-butyl-4-phenanthren-3-yl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-4-phenanthren-3-yl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID176627416
Molecular FormulaC33H27N3
Molecular Weight465.60 g/mol
Exact Mass465.22
IUPAC Name2-tert-butyl-4-phenanthren-3-yl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc3ccc4ccccc4c3c2)n1
InChIInChI=1S/C33H27N3/c1-33(2,3)32-35-30(26-18-13-23(14-19-26)22-9-5-4-6-10-22)34-31(36-32)27-20-17-25-16-15-24-11-7-8-12-28(24)29(25)21-27/h4-21H,1-3H3
InChIKeyGZXMNLBYLIWKIE-UHFFFAOYSA-N
XLogP8.48
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 176627975
2-tert-butyl-4-phenyl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine
CID 168803765
2,4-di(chrysen-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 157117117
2-tert-butyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252344
2-(4-phenanthren-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 122416295
2-tert-butyl-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168803489
2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 176647044
2-(6-phenanthren-3-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 170179950
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-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 177113268
2-benzo[c]phenanthren-2-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157427505
2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 176617028

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-phenanthren-3-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-4-phenanthren-3-yl-6-(4-phenylphenyl)-1,3,5-triazine (CID 176627416) is 2-tert-butyl-4-phenanthren-3-yl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-4-phenanthren-3-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-4-phenanthren-3-yl-6-(4-phenylphenyl)-1,3,5-triazine is CC(C)(C)c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc3ccc4ccccc4c3c2)n1.
What is the InChIKey of 2-tert-butyl-4-phenanthren-3-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is GZXMNLBYLIWKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N3/c1-33(2,3)32-35-30(26-18-13-23(14-19-26)22-9-5-4-6-10-22)34-31(36-32)27-20-17-25-16-15-24-11-7-8-12-28(24)29(25)21-27/h4-21H,1-3H3.
What are the key properties of 2-tert-butyl-4-phenanthren-3-yl-6-(4-phenylphenyl)-1,3,5-triazine?
2-tert-butyl-4-phenanthren-3-yl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 465.60 g/mol, XLogP of 8.48, 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-phenanthren-3-yl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 176627416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).