2-(2-phenylpropan-2-yl)-6-(5-pyridin-3-ylbenzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol

C34H38N4O — CID 11329814

IUPAC2-(2-phenylpropan-2-yl)-6-(5-pyridin-3-ylbenzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1cc(-n2nc3ccc(-c4cccnc4)cc3n2)c(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C34H38N4O/c1-32(2,3)22-33(4,5)26-19-27(34(6,7)25-13-9-8-10-14-25)31(39)30(20-26)38-36-28-16-15-23(18-29(28)37-38)24-12-11-17-35-21-24/h8-21,39H,22H2,1-7H3
InChIKeyNFZACPBEYFNMBH-UHFFFAOYSA-N
MW518.71 g/mol
LogP8.23
Rot. Bonds6

About 2-(2-phenylpropan-2-yl)-6-(5-pyridin-3-ylbenzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol

2-(2-phenylpropan-2-yl)-6-(5-pyridin-3-ylbenzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 11329814) has the molecular formula C34H38N4O and a molecular weight of 518.71 g/mol. Its IUPAC name is 2-(2-phenylpropan-2-yl)-6-(5-pyridin-3-ylbenzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-(2-phenylpropan-2-yl)-6-(5-pyridin-3-ylbenzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID11329814
Molecular FormulaC34H38N4O
Molecular Weight518.71 g/mol
Exact Mass518.30
IUPAC Name2-(2-phenylpropan-2-yl)-6-(5-pyridin-3-ylbenzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1cc(-n2nc3ccc(-c4cccnc4)cc3n2)c(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C34H38N4O/c1-32(2,3)22-33(4,5)26-19-27(34(6,7)25-13-9-8-10-14-25)31(39)30(20-26)38-36-28-16-15-23(18-29(28)37-38)24-12-11-17-35-21-24/h8-21,39H,22H2,1-7H3
InChIKeyNFZACPBEYFNMBH-UHFFFAOYSA-N
XLogP8.23
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.71
LogP ≤ 58.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropan-2-yl)-6-(5-pyridin-3-ylbenzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2-(2-phenylpropan-2-yl)-6-(5-pyridin-3-ylbenzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 11329814) is 2-(2-phenylpropan-2-yl)-6-(5-pyridin-3-ylbenzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-(2-phenylpropan-2-yl)-6-(5-pyridin-3-ylbenzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2-(2-phenylpropan-2-yl)-6-(5-pyridin-3-ylbenzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol is CC(C)(C)CC(C)(C)c1cc(-n2nc3ccc(-c4cccnc4)cc3n2)c(O)c(C(C)(C)c2ccccc2)c1.
What is the InChIKey of 2-(2-phenylpropan-2-yl)-6-(5-pyridin-3-ylbenzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is NFZACPBEYFNMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4O/c1-32(2,3)22-33(4,5)26-19-27(34(6,7)25-13-9-8-10-14-25)31(39)30(20-26)38-36-28-16-15-23(18-29(28)37-38)24-12-11-17-35-21-24/h8-21,39H,22H2,1-7H3.
What are the key properties of 2-(2-phenylpropan-2-yl)-6-(5-pyridin-3-ylbenzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
2-(2-phenylpropan-2-yl)-6-(5-pyridin-3-ylbenzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 518.71 g/mol, XLogP of 8.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropan-2-yl)-6-(5-pyridin-3-ylbenzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 11329814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).