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

C47H41N9 — CID 176843132

IUPAC2,4-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
SMILESCC(C)(C)c1nc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)n3)c2)nc(C(C)(C)C)n1
InChIInChI=1S/C47H41N9/c1-46(2,3)44-54-43(55-45(56-44)47(4,5)6)36-24-16-23-35(29-36)42-52-39(32-21-14-9-15-22-32)51-41(53-42)34-27-25-33(26-28-34)40-49-37(30-17-10-7-11-18-30)48-38(50-40)31-19-12-8-13-20-31/h7-29H,1-6H3
InChIKeyIVOLVHQNFLWVJM-UHFFFAOYSA-N
MW731.91 g/mol
LogP10.51
Rot. Bonds7

About 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

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 (PubChem CID 176843132) has the molecular formula C47H41N9 and a molecular weight of 731.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,4-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
PubChem CID176843132
Molecular FormulaC47H41N9
Molecular Weight731.91 g/mol
Exact Mass731.35
IUPAC Name2,4-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
SMILESCC(C)(C)c1nc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)n3)c2)nc(C(C)(C)C)n1
InChIInChI=1S/C47H41N9/c1-46(2,3)44-54-43(55-45(56-44)47(4,5)6)36-24-16-23-35(29-36)42-52-39(32-21-14-9-15-22-32)51-41(53-42)34-27-25-33(26-28-34)40-49-37(30-17-10-7-11-18-30)48-38(50-40)31-19-12-8-13-20-31/h7-29H,1-6H3
InChIKeyIVOLVHQNFLWVJM-UHFFFAOYSA-N
XLogP10.51
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.91
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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-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-tert-butyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252344
2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 177113619
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
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
2-tert-butyl-4-[3-[4-tert-butyl-6-[3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-6-(4-dimethylphosphorylphenyl)-1,3,5-triazine
CID 176843104
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
2,4-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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1nc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)n3)c2)nc(C(C)(C)C)n1.
What is the InChIKey of 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?
The InChIKey is IVOLVHQNFLWVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H41N9/c1-46(2,3)44-54-43(55-45(56-44)47(4,5)6)36-24-16-23-35(29-36)42-52-39(32-21-14-9-15-22-32)51-41(53-42)34-27-25-33(26-28-34)40-49-37(30-17-10-7-11-18-30)48-38(50-40)31-19-12-8-13-20-31/h7-29H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 731.91 g/mol, XLogP of 10.51, 7 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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 176843132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).