2-(5-aminobenzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol

C30H30N4O — CID 14274280

IUPAC2-(5-aminobenzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1ccccc1)c1cc(-n2nc3ccc(N)cc3n2)c(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C30H30N4O/c1-29(2,20-11-7-5-8-12-20)22-17-24(30(3,4)21-13-9-6-10-14-21)28(35)27(18-22)34-32-25-16-15-23(31)19-26(25)33-34/h5-19,35H,31H2,1-4H3
InChIKeyAPQAYXPBNQWNTB-UHFFFAOYSA-N
MW462.60 g/mol
LogP6.36
Rot. Bonds5

About 2-(5-aminobenzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol

2-(5-aminobenzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol (PubChem CID 14274280) has the molecular formula C30H30N4O and a molecular weight of 462.60 g/mol. Its IUPAC name is 2-(5-aminobenzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name2-(5-aminobenzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol
PubChem CID14274280
Molecular FormulaC30H30N4O
Molecular Weight462.60 g/mol
Exact Mass462.24
IUPAC Name2-(5-aminobenzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1ccccc1)c1cc(-n2nc3ccc(N)cc3n2)c(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C30H30N4O/c1-29(2,20-11-7-5-8-12-20)22-17-24(30(3,4)21-13-9-6-10-14-21)28(35)27(18-22)34-32-25-16-15-23(31)19-26(25)33-34/h5-19,35H,31H2,1-4H3
InChIKeyAPQAYXPBNQWNTB-UHFFFAOYSA-N
XLogP6.36
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminobenzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol?
The IUPAC name of 2-(5-aminobenzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol (CID 14274280) is 2-(5-aminobenzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 2-(5-aminobenzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 2-(5-aminobenzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol is CC(C)(c1ccccc1)c1cc(-n2nc3ccc(N)cc3n2)c(O)c(C(C)(C)c2ccccc2)c1.
What is the InChIKey of 2-(5-aminobenzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol?
The InChIKey is APQAYXPBNQWNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O/c1-29(2,20-11-7-5-8-12-20)22-17-24(30(3,4)21-13-9-6-10-14-21)28(35)27(18-22)34-32-25-16-15-23(31)19-26(25)33-34/h5-19,35H,31H2,1-4H3.
What are the key properties of 2-(5-aminobenzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol?
2-(5-aminobenzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol has a molecular weight of 462.60 g/mol, XLogP of 6.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminobenzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 14274280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).