2,4-ditert-butyl-6-[4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-1,3,5-triazine

C37H46N4 — CID 140826343

IUPAC2,4-ditert-butyl-6-[4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)C(C)(C)C5(C)C)nc3)cc2)nc(C(C)(C)C)n1
InChIInChI=1S/C37H46N4/c1-33(2,3)31-39-30(40-32(41-31)34(4,5)6)24-15-13-23(14-16-24)26-18-20-29(38-22-26)25-17-19-27-28(21-25)36(9,10)37(11,12)35(27,7)8/h13-22H,1-12H3
InChIKeyJCFOKQKRSPPLFL-UHFFFAOYSA-N
MW546.80 g/mol
LogP9.46
Rot. Bonds3

About 2,4-ditert-butyl-6-[4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-1,3,5-triazine

2,4-ditert-butyl-6-[4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-1,3,5-triazine (PubChem CID 140826343) has the molecular formula C37H46N4 and a molecular weight of 546.80 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-1,3,5-triazine
PubChem CID140826343
Molecular FormulaC37H46N4
Molecular Weight546.80 g/mol
Exact Mass546.37
IUPAC Name2,4-ditert-butyl-6-[4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)C(C)(C)C5(C)C)nc3)cc2)nc(C(C)(C)C)n1
InChIInChI=1S/C37H46N4/c1-33(2,3)31-39-30(40-32(41-31)34(4,5)6)24-15-13-23(14-16-24)26-18-20-29(38-22-26)25-17-19-27-28(21-25)36(9,10)37(11,12)35(27,7)8/h13-22H,1-12H3
InChIKeyJCFOKQKRSPPLFL-UHFFFAOYSA-N
XLogP9.46
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.80
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

2-tert-butyl-5-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine
CID 140826470
2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine
CID 140826425
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4,6-dimethylpyrimidine
CID 118857218
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine-4,6-dicarbonitrile
CID 118857250
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine
CID 118857536
2,4-bis(1-adamantyl)-6-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine
CID 130376256
CID 158917126
CID 158917126
2-benzyl-4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-6-methyl-1,3,5-triazine
CID 130376249
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-methyl-6-phenylsulfanyl-1,3,5-triazine
CID 118857458
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-6-isocyanopyrimidine-4-carbonitrile
CID 140826510
2-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-3-pyridinyl]-4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 130376269
5-[2-(3,5-dimethylphenyl)-3-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
CID 153422803

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-ditert-butyl-6-[4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-1,3,5-triazine (CID 140826343) is 2,4-ditert-butyl-6-[4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-ditert-butyl-6-[4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-ditert-butyl-6-[4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-1,3,5-triazine is CC(C)(C)c1nc(-c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)C(C)(C)C5(C)C)nc3)cc2)nc(C(C)(C)C)n1.
What is the InChIKey of 2,4-ditert-butyl-6-[4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-1,3,5-triazine?
The InChIKey is JCFOKQKRSPPLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46N4/c1-33(2,3)31-39-30(40-32(41-31)34(4,5)6)24-15-13-23(14-16-24)26-18-20-29(38-22-26)25-17-19-27-28(21-25)36(9,10)37(11,12)35(27,7)8/h13-22H,1-12H3.
What are the key properties of 2,4-ditert-butyl-6-[4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-1,3,5-triazine?
2,4-ditert-butyl-6-[4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-1,3,5-triazine has a molecular weight of 546.80 g/mol, XLogP of 9.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 140826343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).