[2,6-di(propan-2-yl)phenyl]-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]azanium

C33H39N2+ — CID 142140371

IUPAC[2,6-di(propan-2-yl)phenyl]-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]azanium
SMILESCc1cc(C)c(-c2cccc(C([NH2+]c3c(C(C)C)cccc3C(C)C)c3ccccc3)n2)c(C)c1
InChIInChI=1S/C33H38N2/c1-21(2)27-15-11-16-28(22(3)4)33(27)35-32(26-13-9-8-10-14-26)30-18-12-17-29(34-30)31-24(6)19-23(5)20-25(31)7/h8-22,32,35H,1-7H3/p+1
InChIKeyRXYNWMFTYBPOKQ-UHFFFAOYSA-O
MW463.69 g/mol
LogP7.91
Rot. Bonds7

About [2,6-di(propan-2-yl)phenyl]-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]azanium

[2,6-di(propan-2-yl)phenyl]-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]azanium (PubChem CID 142140371) has the molecular formula C33H39N2+ and a molecular weight of 463.69 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl]-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]azanium.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)phenyl]-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]azanium
PubChem CID142140371
Molecular FormulaC33H39N2+
Molecular Weight463.69 g/mol
Exact Mass463.31
IUPAC Name[2,6-di(propan-2-yl)phenyl]-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]azanium
SMILESCc1cc(C)c(-c2cccc(C([NH2+]c3c(C(C)C)cccc3C(C)C)c3ccccc3)n2)c(C)c1
InChIInChI=1S/C33H38N2/c1-21(2)27-15-11-16-28(22(3)4)33(27)35-32(26-13-9-8-10-14-26)30-18-12-17-29(34-30)31-24(6)19-23(5)20-25(31)7/h8-22,32,35H,1-7H3/p+1
InChIKeyRXYNWMFTYBPOKQ-UHFFFAOYSA-O
XLogP7.91
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.69
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4E,6Z)-2-methyl-N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-5-propan-2-ylocta-4,6-dien-4-amine
CID 142140472
N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 20637527
carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(4-methanidyl-6,8-dimethyl-3,4-dihydro-2H-chromen-5-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium(4+)
CID 59479614
N-methyl-6-(2,4,6-trimethylphenyl)pyridin-2-amine
CID 115503483
di(propan-2-yl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;prop-1-ene
CID 167454576
bis([2,6-di(propan-2-yl)phenyl]azanide);2-pyridin-2-ylpyridine;toluene;(2,4,6-trimethylphenyl)-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;yttrium(3+)
CID 139107344
N-[(2-methoxyphenyl)-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline
CID 70645342
N-(2,4,6-trimethylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2-carboxamide
CID 90421461
N-methyl-N-[(2-phenylphenyl)-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline;N,2,4,6-tetramethyl-N-[(6-phenyl-2-pyridinyl)methyl]aniline
CID 91123223
N-[(trimethyl-λ4-sulfanyl)methyl]-6-(2,4,6-trimethylphenyl)pyridin-2-amine
CID 155088007
3-(2,4,6-trimethylphenyl)pyridazine
CID 67379258
2-(3-methylphenyl)-6-propan-2-ylpyridine
CID 142459956

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl]-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]azanium?
The IUPAC name of [2,6-di(propan-2-yl)phenyl]-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]azanium (CID 142140371) is [2,6-di(propan-2-yl)phenyl]-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]azanium.
What is the SMILES notation for [2,6-di(propan-2-yl)phenyl]-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]azanium?
The canonical SMILES for [2,6-di(propan-2-yl)phenyl]-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]azanium is Cc1cc(C)c(-c2cccc(C([NH2+]c3c(C(C)C)cccc3C(C)C)c3ccccc3)n2)c(C)c1.
What is the InChIKey of [2,6-di(propan-2-yl)phenyl]-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]azanium?
The InChIKey is RXYNWMFTYBPOKQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C33H38N2/c1-21(2)27-15-11-16-28(22(3)4)33(27)35-32(26-13-9-8-10-14-26)30-18-12-17-29(34-30)31-24(6)19-23(5)20-25(31)7/h8-22,32,35H,1-7H3/p+1.
What are the key properties of [2,6-di(propan-2-yl)phenyl]-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]azanium?
[2,6-di(propan-2-yl)phenyl]-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]azanium has a molecular weight of 463.69 g/mol, XLogP of 7.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)phenyl]-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]azanium is sourced from PubChem (CID 142140371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).