4-tert-butyl-2-[1-(4-tert-butyl-2-pyridinyl)-1-phenylethyl]-6-(2-phenylpropan-2-yl)pyridine

C35H42N2 — CID 168787601

IUPAC4-tert-butyl-2-[1-(4-tert-butyl-2-pyridinyl)-1-phenylethyl]-6-(2-phenylpropan-2-yl)pyridine
SMILESCC(C)(C)c1ccnc(C(C)(c2ccccc2)c2cc(C(C)(C)C)cc(C(C)(C)c3ccccc3)n2)c1
InChIInChI=1S/C35H42N2/c1-32(2,3)27-20-21-36-30(22-27)35(9,26-18-14-11-15-19-26)31-24-28(33(4,5)6)23-29(37-31)34(7,8)25-16-12-10-13-17-25/h10-24H,1-9H3
InChIKeyLJIBMHSNNHADRC-UHFFFAOYSA-N
MW490.74 g/mol
LogP8.75
Rot. Bonds5

About 4-tert-butyl-2-[1-(4-tert-butyl-2-pyridinyl)-1-phenylethyl]-6-(2-phenylpropan-2-yl)pyridine

4-tert-butyl-2-[1-(4-tert-butyl-2-pyridinyl)-1-phenylethyl]-6-(2-phenylpropan-2-yl)pyridine (PubChem CID 168787601) has the molecular formula C35H42N2 and a molecular weight of 490.74 g/mol. Its IUPAC name is 4-tert-butyl-2-[1-(4-tert-butyl-2-pyridinyl)-1-phenylethyl]-6-(2-phenylpropan-2-yl)pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-[1-(4-tert-butyl-2-pyridinyl)-1-phenylethyl]-6-(2-phenylpropan-2-yl)pyridine
PubChem CID168787601
Molecular FormulaC35H42N2
Molecular Weight490.74 g/mol
Exact Mass490.33
IUPAC Name4-tert-butyl-2-[1-(4-tert-butyl-2-pyridinyl)-1-phenylethyl]-6-(2-phenylpropan-2-yl)pyridine
SMILESCC(C)(C)c1ccnc(C(C)(c2ccccc2)c2cc(C(C)(C)C)cc(C(C)(C)c3ccccc3)n2)c1
InChIInChI=1S/C35H42N2/c1-32(2,3)27-20-21-36-30(22-27)35(9,26-18-14-11-15-19-26)31-24-28(33(4,5)6)23-29(37-31)34(7,8)25-16-12-10-13-17-25/h10-24H,1-9H3
InChIKeyLJIBMHSNNHADRC-UHFFFAOYSA-N
XLogP8.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.74
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2-(2-phenylpropan-2-yl)pyridine
CID 132599217
tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine
CID 159945817
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288
2-tert-butyl-4-(3-methylpentan-3-yl)pyridine
CID 71154792
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
2-(2-phenylpropan-2-yl)-4-(2-pyridin-2-ylpropan-2-yl)-1,3,5-triazine
CID 142355793
10-[(1S)-1-(4-tert-butyl-2-pyridinyl)-1-phenylethyl]-5-[1-(4-tert-butyl-2-pyridinyl)-1-phenylethyl]-12,12,13,13-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2(7),3,5,8,10,14,16-octaene
CID 154622356
4-tert-butylpyridin-2-amine;ethane
CID 153372117
3,6-bis[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-9-phenyl-4,5-dihydrocarbazole-4,5-diide;platinum(2+)
CID 153433417
2-[2-(3-methylphenyl)propan-2-yl]pyridine
CID 130252856
2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 15827510

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[1-(4-tert-butyl-2-pyridinyl)-1-phenylethyl]-6-(2-phenylpropan-2-yl)pyridine?
The IUPAC name of 4-tert-butyl-2-[1-(4-tert-butyl-2-pyridinyl)-1-phenylethyl]-6-(2-phenylpropan-2-yl)pyridine (CID 168787601) is 4-tert-butyl-2-[1-(4-tert-butyl-2-pyridinyl)-1-phenylethyl]-6-(2-phenylpropan-2-yl)pyridine.
What is the SMILES notation for 4-tert-butyl-2-[1-(4-tert-butyl-2-pyridinyl)-1-phenylethyl]-6-(2-phenylpropan-2-yl)pyridine?
The canonical SMILES for 4-tert-butyl-2-[1-(4-tert-butyl-2-pyridinyl)-1-phenylethyl]-6-(2-phenylpropan-2-yl)pyridine is CC(C)(C)c1ccnc(C(C)(c2ccccc2)c2cc(C(C)(C)C)cc(C(C)(C)c3ccccc3)n2)c1.
What is the InChIKey of 4-tert-butyl-2-[1-(4-tert-butyl-2-pyridinyl)-1-phenylethyl]-6-(2-phenylpropan-2-yl)pyridine?
The InChIKey is LJIBMHSNNHADRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N2/c1-32(2,3)27-20-21-36-30(22-27)35(9,26-18-14-11-15-19-26)31-24-28(33(4,5)6)23-29(37-31)34(7,8)25-16-12-10-13-17-25/h10-24H,1-9H3.
What are the key properties of 4-tert-butyl-2-[1-(4-tert-butyl-2-pyridinyl)-1-phenylethyl]-6-(2-phenylpropan-2-yl)pyridine?
4-tert-butyl-2-[1-(4-tert-butyl-2-pyridinyl)-1-phenylethyl]-6-(2-phenylpropan-2-yl)pyridine has a molecular weight of 490.74 g/mol, XLogP of 8.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[1-(4-tert-butyl-2-pyridinyl)-1-phenylethyl]-6-(2-phenylpropan-2-yl)pyridine is sourced from PubChem (CID 168787601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).