2-tert-butyl-4-phenyl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine

C33H27N3 — CID 168803765

IUPAC2-tert-butyl-4-phenyl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccccc2)nc(-c2ccc3c(ccc4cc(-c5ccccc5)ccc43)c2)n1
InChIInChI=1S/C33H27N3/c1-33(2,3)32-35-30(23-12-8-5-9-13-23)34-31(36-32)27-17-19-29-26(21-27)15-14-25-20-24(16-18-28(25)29)22-10-6-4-7-11-22/h4-21H,1-3H3
InChIKeyKXGFMZRPDWTKRH-UHFFFAOYSA-N
MW465.60 g/mol
LogP8.48
Rot. Bonds3

About 2-tert-butyl-4-phenyl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine

2-tert-butyl-4-phenyl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine (PubChem CID 168803765) has the molecular formula C33H27N3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 2-tert-butyl-4-phenyl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-4-phenyl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine
PubChem CID168803765
Molecular FormulaC33H27N3
Molecular Weight465.60 g/mol
Exact Mass465.22
IUPAC Name2-tert-butyl-4-phenyl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccccc2)nc(-c2ccc3c(ccc4cc(-c5ccccc5)ccc43)c2)n1
InChIInChI=1S/C33H27N3/c1-33(2,3)32-35-30(23-12-8-5-9-13-23)34-31(36-32)27-17-19-29-26(21-27)15-14-25-20-24(16-18-28(25)29)22-10-6-4-7-11-22/h4-21H,1-3H3
InChIKeyKXGFMZRPDWTKRH-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-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168803489
2-tert-butyl-4-phenanthren-3-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176627416
2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 176647044
2-tert-butyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252344
2-tert-butyl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 176627975
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-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 177113619
2-phenanthren-2-yl-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598227
2-chrysen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170131359
2-phenanthren-2-yl-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 171598299
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
4-(4-tert-butylphenyl)-14-phenyl-3,5,13,15,28,30-hexazahexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(25),2(30),3,5,7,9,11(29),12,14,16(28),17,19,21(27),22(26),23-pentadecaene
CID 134507698

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-phenyl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-4-phenyl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine (CID 168803765) is 2-tert-butyl-4-phenyl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-4-phenyl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-4-phenyl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine is CC(C)(C)c1nc(-c2ccccc2)nc(-c2ccc3c(ccc4cc(-c5ccccc5)ccc43)c2)n1.
What is the InChIKey of 2-tert-butyl-4-phenyl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine?
The InChIKey is KXGFMZRPDWTKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N3/c1-33(2,3)32-35-30(23-12-8-5-9-13-23)34-31(36-32)27-17-19-29-26(21-27)15-14-25-20-24(16-18-28(25)29)22-10-6-4-7-11-22/h4-21H,1-3H3.
What are the key properties of 2-tert-butyl-4-phenyl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine?
2-tert-butyl-4-phenyl-6-(7-phenylphenanthren-2-yl)-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-phenyl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine is sourced from PubChem (CID 168803765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).