4-tert-butyl-2-[4-(trideuteriomethyl)-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]pyridine

C31H41N — CID 171461612

IUPAC4-tert-butyl-2-[4-(trideuteriomethyl)-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2cc(C(C)(C)C)ccn2)cc1-c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C31H41N/c1-19(2)24-16-26(20(3)4)30(27(17-24)21(5)6)28-15-23(12-11-22(28)7)29-18-25(13-14-32-29)31(8,9)10/h11-21H,1-10H3/i7D3
InChIKeyBCOWKWJWIFDOBK-UKDQJQFQSA-N
MW430.69 g/mol
LogP9.39
Rot. Bonds6

About 4-tert-butyl-2-[4-(trideuteriomethyl)-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]pyridine

4-tert-butyl-2-[4-(trideuteriomethyl)-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]pyridine (PubChem CID 171461612) has the molecular formula C31H41N and a molecular weight of 430.69 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-(trideuteriomethyl)-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-[4-(trideuteriomethyl)-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]pyridine
PubChem CID171461612
Molecular FormulaC31H41N
Molecular Weight430.69 g/mol
Exact Mass430.34
IUPAC Name4-tert-butyl-2-[4-(trideuteriomethyl)-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2cc(C(C)(C)C)ccn2)cc1-c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C31H41N/c1-19(2)24-16-26(20(3)4)30(27(17-24)21(5)6)28-15-23(12-11-22(28)7)29-18-25(13-14-32-29)31(8,9)10/h11-21H,1-10H3/i7D3
InChIKeyBCOWKWJWIFDOBK-UKDQJQFQSA-N
XLogP9.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.69
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-2-(4-propan-2-ylphenyl)pyridine
CID 178179780
4-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine
CID 164797295
2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine
CID 140838950
4-bromo-2-[2,4,6-tri(propan-2-yl)phenyl]pyridine
CID 135149052
CID 176583730
CID 176583730
2-[1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol
CID 153482104
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;carbanide;platinum(2+)
CID 10962043
CID 176583936
CID 176583936
2-[1-[2-(4-tert-butylphenyl)-5-phenyl-4-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol
CID 167332398
2-[1-[4-(4-tert-butylphenyl)-2-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol
CID 153477285
CID 136828174
CID 136828174
CID 176817330
CID 176817330

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-(trideuteriomethyl)-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]pyridine?
The IUPAC name of 4-tert-butyl-2-[4-(trideuteriomethyl)-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]pyridine (CID 171461612) is 4-tert-butyl-2-[4-(trideuteriomethyl)-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]pyridine.
What is the SMILES notation for 4-tert-butyl-2-[4-(trideuteriomethyl)-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]pyridine?
The canonical SMILES for 4-tert-butyl-2-[4-(trideuteriomethyl)-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]pyridine is [2H]C([2H])([2H])c1ccc(-c2cc(C(C)(C)C)ccn2)cc1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of 4-tert-butyl-2-[4-(trideuteriomethyl)-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]pyridine?
The InChIKey is BCOWKWJWIFDOBK-UKDQJQFQSA-N. The full InChI is InChI=1S/C31H41N/c1-19(2)24-16-26(20(3)4)30(27(17-24)21(5)6)28-15-23(12-11-22(28)7)29-18-25(13-14-32-29)31(8,9)10/h11-21H,1-10H3/i7D3.
What are the key properties of 4-tert-butyl-2-[4-(trideuteriomethyl)-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]pyridine?
4-tert-butyl-2-[4-(trideuteriomethyl)-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]pyridine has a molecular weight of 430.69 g/mol, XLogP of 9.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[4-(trideuteriomethyl)-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]pyridine is sourced from PubChem (CID 171461612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).