2-(benzotriazol-1-yl)-6-[[3-(benzotriazol-1-yl)-2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]methyl]-4-(2-phenylpropan-2-yl)phenol

C43H38N6O2 — CID 67895224

IUPAC2-(benzotriazol-1-yl)-6-[[3-(benzotriazol-1-yl)-2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]methyl]-4-(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1ccccc1)c1cc(Cc2cc(C(C)(C)c3ccccc3)cc(-n3nnc4ccccc43)c2O)c(O)c(-n2nnc3ccccc32)c1
InChIInChI=1S/C43H38N6O2/c1-42(2,30-15-7-5-8-16-30)32-24-28(40(50)38(26-32)48-36-21-13-11-19-34(36)44-46-48)23-29-25-33(43(3,4)31-17-9-6-10-18-31)27-39(41(29)51)49-37-22-14-12-20-35(37)45-47-49/h5-22,24-27,50-51H,23H2,1-4H3
InChIKeyVDGYSGQGCINUHP-UHFFFAOYSA-N
MW670.82 g/mol
LogP8.81
Rot. Bonds8

About 2-(benzotriazol-1-yl)-6-[[3-(benzotriazol-1-yl)-2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]methyl]-4-(2-phenylpropan-2-yl)phenol

2-(benzotriazol-1-yl)-6-[[3-(benzotriazol-1-yl)-2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]methyl]-4-(2-phenylpropan-2-yl)phenol (PubChem CID 67895224) has the molecular formula C43H38N6O2 and a molecular weight of 670.82 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-6-[[3-(benzotriazol-1-yl)-2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]methyl]-4-(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-6-[[3-(benzotriazol-1-yl)-2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]methyl]-4-(2-phenylpropan-2-yl)phenol
PubChem CID67895224
Molecular FormulaC43H38N6O2
Molecular Weight670.82 g/mol
Exact Mass670.31
IUPAC Name2-(benzotriazol-1-yl)-6-[[3-(benzotriazol-1-yl)-2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]methyl]-4-(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1ccccc1)c1cc(Cc2cc(C(C)(C)c3ccccc3)cc(-n3nnc4ccccc43)c2O)c(O)c(-n2nnc3ccccc32)c1
InChIInChI=1S/C43H38N6O2/c1-42(2,30-15-7-5-8-16-30)32-24-28(40(50)38(26-32)48-36-21-13-11-19-34(36)44-46-48)23-29-25-33(43(3,4)31-17-9-6-10-18-31)27-39(41(29)51)49-37-22-14-12-20-35(37)45-47-49/h5-22,24-27,50-51H,23H2,1-4H3
InChIKeyVDGYSGQGCINUHP-UHFFFAOYSA-N
XLogP8.81
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.82
LogP ≤ 58.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(benzotriazol-1-yl)-6-[[3-(benzotriazol-1-yl)-2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]methyl]-4-(2-phenylpropan-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-6-[[3-(benzotriazol-1-yl)-2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]methyl]-4-(2-phenylpropan-2-yl)phenol?
The IUPAC name of 2-(benzotriazol-1-yl)-6-[[3-(benzotriazol-1-yl)-2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]methyl]-4-(2-phenylpropan-2-yl)phenol (CID 67895224) is 2-(benzotriazol-1-yl)-6-[[3-(benzotriazol-1-yl)-2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]methyl]-4-(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 2-(benzotriazol-1-yl)-6-[[3-(benzotriazol-1-yl)-2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]methyl]-4-(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 2-(benzotriazol-1-yl)-6-[[3-(benzotriazol-1-yl)-2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]methyl]-4-(2-phenylpropan-2-yl)phenol is CC(C)(c1ccccc1)c1cc(Cc2cc(C(C)(C)c3ccccc3)cc(-n3nnc4ccccc43)c2O)c(O)c(-n2nnc3ccccc32)c1.
What is the InChIKey of 2-(benzotriazol-1-yl)-6-[[3-(benzotriazol-1-yl)-2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]methyl]-4-(2-phenylpropan-2-yl)phenol?
The InChIKey is VDGYSGQGCINUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38N6O2/c1-42(2,30-15-7-5-8-16-30)32-24-28(40(50)38(26-32)48-36-21-13-11-19-34(36)44-46-48)23-29-25-33(43(3,4)31-17-9-6-10-18-31)27-39(41(29)51)49-37-22-14-12-20-35(37)45-47-49/h5-22,24-27,50-51H,23H2,1-4H3.
What are the key properties of 2-(benzotriazol-1-yl)-6-[[3-(benzotriazol-1-yl)-2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]methyl]-4-(2-phenylpropan-2-yl)phenol?
2-(benzotriazol-1-yl)-6-[[3-(benzotriazol-1-yl)-2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]methyl]-4-(2-phenylpropan-2-yl)phenol has a molecular weight of 670.82 g/mol, XLogP of 8.81, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-6-[[3-(benzotriazol-1-yl)-2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]methyl]-4-(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 67895224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).