2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-bis[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-4-methylphenol

C68H70N12O4 — CID 87989311

IUPAC2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-bis[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-4-methylphenol
SMILESCc1cc(C(c2cc(C)cc(-n3nc4ccccc4n3)c2O)C(c2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C68H70N12O4/c1-39-29-43(61(81)55(31-39)77-69-47-21-13-14-22-48(47)70-77)59(44-30-40(2)32-56(62(44)82)78-71-49-23-15-16-24-50(49)72-78)60(45-33-41(67(9,10)37-65(3,4)5)35-57(63(45)83)79-73-51-25-17-18-26-52(51)74-79)46-34-42(68(11,12)38-66(6,7)8)36-58(64(46)84)80-75-53-27-19-20-28-54(53)76-80/h13-36,59-60,81-84H,37-38H2,1-12H3
InChIKeyFAUCNSGYXHAHMF-UHFFFAOYSA-N
MW1119.39 g/mol
LogP14.45
Rot. Bonds13

About 2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-bis[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-4-methylphenol

2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-bis[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-4-methylphenol (PubChem CID 87989311) has the molecular formula C68H70N12O4 and a molecular weight of 1119.39 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-bis[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-bis[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-4-methylphenol
PubChem CID87989311
Molecular FormulaC68H70N12O4
Molecular Weight1119.39 g/mol
Exact Mass1118.56
IUPAC Name2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-bis[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-4-methylphenol
SMILESCc1cc(C(c2cc(C)cc(-n3nc4ccccc4n3)c2O)C(c2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C68H70N12O4/c1-39-29-43(61(81)55(31-39)77-69-47-21-13-14-22-48(47)70-77)59(44-30-40(2)32-56(62(44)82)78-71-49-23-15-16-24-50(49)72-78)60(45-33-41(67(9,10)37-65(3,4)5)35-57(63(45)83)79-73-51-25-17-18-26-52(51)74-79)46-34-42(68(11,12)38-66(6,7)8)36-58(64(46)84)80-75-53-27-19-20-28-54(53)76-80/h13-36,59-60,81-84H,37-38H2,1-12H3
InChIKeyFAUCNSGYXHAHMF-UHFFFAOYSA-N
XLogP14.45
TPSA203.76 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001119.39
LogP ≤ 514.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-bis[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-4-methylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-bis[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-4-methylphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-bis[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-4-methylphenol (CID 87989311) is 2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-bis[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-4-methylphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-bis[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-4-methylphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-bis[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-4-methylphenol is Cc1cc(C(c2cc(C)cc(-n3nc4ccccc4n3)c2O)C(c2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-bis[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-4-methylphenol?
The InChIKey is FAUCNSGYXHAHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H70N12O4/c1-39-29-43(61(81)55(31-39)77-69-47-21-13-14-22-48(47)70-77)59(44-30-40(2)32-56(62(44)82)78-71-49-23-15-16-24-50(49)72-78)60(45-33-41(67(9,10)37-65(3,4)5)35-57(63(45)83)79-73-51-25-17-18-26-52(51)74-79)46-34-42(68(11,12)38-66(6,7)8)36-58(64(46)84)80-75-53-27-19-20-28-54(53)76-80/h13-36,59-60,81-84H,37-38H2,1-12H3.
What are the key properties of 2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-bis[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-4-methylphenol?
2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-bis[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-4-methylphenol has a molecular weight of 1119.39 g/mol, XLogP of 14.45, 13 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-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-bis[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-4-methylphenol is sourced from PubChem (CID 87989311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).