2,4-ditert-butyl-6-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine

C45H44FN9 — CID 176842898

IUPAC2,4-ditert-butyl-6-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccccc2)nc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(F)cc4)n3)cc(-c3nc(C(C)(C)C)nc(C(C)(C)C)n3)c2)n1
InChIInChI=1S/C45H44FN9/c1-43(2,3)40-51-36(28-18-14-11-15-19-28)50-38(52-40)31-24-30(25-32(26-31)39-53-41(44(4,5)6)55-42(54-39)45(7,8)9)37-48-34(27-16-12-10-13-17-27)47-35(49-37)29-20-22-33(46)23-21-29/h10-26H,1-9H3
InChIKeyZEHDSPNVMRMUQC-UHFFFAOYSA-N
MW729.91 g/mol
LogP10.28
Rot. Bonds6

About 2,4-ditert-butyl-6-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine

2,4-ditert-butyl-6-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine (PubChem CID 176842898) has the molecular formula C45H44FN9 and a molecular weight of 729.91 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
PubChem CID176842898
Molecular FormulaC45H44FN9
Molecular Weight729.91 g/mol
Exact Mass729.37
IUPAC Name2,4-ditert-butyl-6-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccccc2)nc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(F)cc4)n3)cc(-c3nc(C(C)(C)C)nc(C(C)(C)C)n3)c2)n1
InChIInChI=1S/C45H44FN9/c1-43(2,3)40-51-36(28-18-14-11-15-19-28)50-38(52-40)31-24-30(25-32(26-31)39-53-41(44(4,5)6)55-42(54-39)45(7,8)9)37-48-34(27-16-12-10-13-17-27)47-35(49-37)29-20-22-33(46)23-21-29/h10-26H,1-9H3
InChIKeyZEHDSPNVMRMUQC-UHFFFAOYSA-N
XLogP10.28
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.91
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2,4-ditert-butyl-6-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(4-fluorophenyl)-1,3,5-triazine
CID 176842919
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-[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-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168803489
2,4-ditert-butyl-6-[3-[4-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-1,3,5-triazine
CID 176843193
2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 177113619
2-[3,5-bis(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-4,6-ditert-butyl-1,3,5-triazine
CID 176842958
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-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-6-phenyl-1,3,5-triazine
CID 176843202
2-tert-butyl-4-phenanthren-3-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176627416

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-ditert-butyl-6-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine (CID 176842898) is 2,4-ditert-butyl-6-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-ditert-butyl-6-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-ditert-butyl-6-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine is CC(C)(C)c1nc(-c2ccccc2)nc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(F)cc4)n3)cc(-c3nc(C(C)(C)C)nc(C(C)(C)C)n3)c2)n1.
What is the InChIKey of 2,4-ditert-butyl-6-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine?
The InChIKey is ZEHDSPNVMRMUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H44FN9/c1-43(2,3)40-51-36(28-18-14-11-15-19-28)50-38(52-40)31-24-30(25-32(26-31)39-53-41(44(4,5)6)55-42(54-39)45(7,8)9)37-48-34(27-16-12-10-13-17-27)47-35(49-37)29-20-22-33(46)23-21-29/h10-26H,1-9H3.
What are the key properties of 2,4-ditert-butyl-6-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine?
2,4-ditert-butyl-6-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine has a molecular weight of 729.91 g/mol, XLogP of 10.28, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 176842898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).