2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]methyl]-4-(2-methylheptan-2-yl)phenol;2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

C82H100N12O4 — CID 87923323

IUPAC2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]methyl]-4-(2-methylheptan-2-yl)phenol;2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1.CCCCCC(C)(C)c1cc(Cc2cc(C(C)(C)CCCCC)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/2C41H50N6O2/c1-38(2,3)24-40(7,8)28-20-26(36(48)34(22-28)46-42-30-15-11-12-16-31(30)43-46)19-27-21-29(41(9,10)25-39(4,5)6)23-35(37(27)49)47-44-32-17-13-14-18-33(32)45-47;1-7-9-15-21-40(3,4)30-24-28(38(48)36(26-30)46-42-32-17-11-12-18-33(32)43-46)23-29-25-31(41(5,6)22-16-10-8-2)27-37(39(29)49)47-44-34-19-13-14-20-35(34)45-47/h11-18,20-23,48-49H,19,24-25H2,1-10H3;11-14,17-20,24-27,48-49H,7-10,15-16,21-23H2,1-6H3
InChIKeyUANWQWVHJOGDOD-UHFFFAOYSA-N
MW1317.78 g/mol
LogP19.46
Rot. Bonds22

About 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]methyl]-4-(2-methylheptan-2-yl)phenol;2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]methyl]-4-(2-methylheptan-2-yl)phenol;2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 87923323) has the molecular formula C82H100N12O4 and a molecular weight of 1317.78 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]methyl]-4-(2-methylheptan-2-yl)phenol;2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]methyl]-4-(2-methylheptan-2-yl)phenol;2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID87923323
Molecular FormulaC82H100N12O4
Molecular Weight1317.78 g/mol
Exact Mass1316.80
IUPAC Name2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]methyl]-4-(2-methylheptan-2-yl)phenol;2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1.CCCCCC(C)(C)c1cc(Cc2cc(C(C)(C)CCCCC)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/2C41H50N6O2/c1-38(2,3)24-40(7,8)28-20-26(36(48)34(22-28)46-42-30-15-11-12-16-31(30)43-46)19-27-21-29(41(9,10)25-39(4,5)6)23-35(37(27)49)47-44-32-17-13-14-18-33(32)45-47;1-7-9-15-21-40(3,4)30-24-28(38(48)36(26-30)46-42-32-17-11-12-18-33(32)43-46)23-29-25-31(41(5,6)22-16-10-8-2)27-37(39(29)49)47-44-34-19-13-14-20-35(34)45-47/h11-18,20-23,48-49H,19,24-25H2,1-10H3;11-14,17-20,24-27,48-49H,7-10,15-16,21-23H2,1-6H3
InChIKeyUANWQWVHJOGDOD-UHFFFAOYSA-N
XLogP19.46
TPSA203.76 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001317.78
LogP ≤ 519.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]methyl]-4-(2-methylheptan-2-yl)phenol;2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol with MolForge

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Related Compounds

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CID 22319942
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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]methyl]-4-(2-methylheptan-2-yl)phenol;2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]methyl]-4-(2-methylheptan-2-yl)phenol;2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 87923323) is 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]methyl]-4-(2-methylheptan-2-yl)phenol;2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]methyl]-4-(2-methylheptan-2-yl)phenol;2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]methyl]-4-(2-methylheptan-2-yl)phenol;2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1.CCCCCC(C)(C)c1cc(Cc2cc(C(C)(C)CCCCC)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]methyl]-4-(2-methylheptan-2-yl)phenol;2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is UANWQWVHJOGDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C41H50N6O2/c1-38(2,3)24-40(7,8)28-20-26(36(48)34(22-28)46-42-30-15-11-12-16-31(30)43-46)19-27-21-29(41(9,10)25-39(4,5)6)23-35(37(27)49)47-44-32-17-13-14-18-33(32)45-47;1-7-9-15-21-40(3,4)30-24-28(38(48)36(26-30)46-42-32-17-11-12-18-33(32)43-46)23-29-25-31(41(5,6)22-16-10-8-2)27-37(39(29)49)47-44-34-19-13-14-20-35(34)45-47/h11-18,20-23,48-49H,19,24-25H2,1-10H3;11-14,17-20,24-27,48-49H,7-10,15-16,21-23H2,1-6H3.
What are the key properties of 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]methyl]-4-(2-methylheptan-2-yl)phenol;2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]methyl]-4-(2-methylheptan-2-yl)phenol;2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 1317.78 g/mol, XLogP of 19.46, 22 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]methyl]-4-(2-methylheptan-2-yl)phenol;2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 87923323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).