dimethyl-bis[2,3,5,6-tetramethyl-4-(4,5,6,7-tetramethylbenzotriazol-1-yl)phenyl]silane

C42H54N6Si — CID 59246698

IUPACdimethyl-bis[2,3,5,6-tetramethyl-4-(4,5,6,7-tetramethylbenzotriazol-1-yl)phenyl]silane
SMILESCc1c(C)c([Si](C)(C)c2c(C)c(C)c(-n3nnc4c(C)c(C)c(C)c(C)c43)c(C)c2C)c(C)c(C)c1-n1nnc2c(C)c(C)c(C)c(C)c21
InChIInChI=1S/C42H54N6Si/c1-19-21(3)25(7)39-35(23(19)5)43-45-47(39)37-27(9)31(13)41(32(14)28(37)10)49(17,18)42-33(15)29(11)38(30(12)34(42)16)48-40-26(8)22(4)20(2)24(6)36(40)44-46-48/h1-18H3
InChIKeyQLWGVTOFAJYDTA-UHFFFAOYSA-N
MW671.02 g/mol
LogP8.91
Rot. Bonds4

About dimethyl-bis[2,3,5,6-tetramethyl-4-(4,5,6,7-tetramethylbenzotriazol-1-yl)phenyl]silane

dimethyl-bis[2,3,5,6-tetramethyl-4-(4,5,6,7-tetramethylbenzotriazol-1-yl)phenyl]silane (PubChem CID 59246698) has the molecular formula C42H54N6Si and a molecular weight of 671.02 g/mol. Its IUPAC name is dimethyl-bis[2,3,5,6-tetramethyl-4-(4,5,6,7-tetramethylbenzotriazol-1-yl)phenyl]silane.

Molecular Properties

Compound Namedimethyl-bis[2,3,5,6-tetramethyl-4-(4,5,6,7-tetramethylbenzotriazol-1-yl)phenyl]silane
PubChem CID59246698
Molecular FormulaC42H54N6Si
Molecular Weight671.02 g/mol
Exact Mass670.42
IUPAC Namedimethyl-bis[2,3,5,6-tetramethyl-4-(4,5,6,7-tetramethylbenzotriazol-1-yl)phenyl]silane
SMILESCc1c(C)c([Si](C)(C)c2c(C)c(C)c(-n3nnc4c(C)c(C)c(C)c(C)c43)c(C)c2C)c(C)c(C)c1-n1nnc2c(C)c(C)c(C)c(C)c21
InChIInChI=1S/C42H54N6Si/c1-19-21(3)25(7)39-35(23(19)5)43-45-47(39)37-27(9)31(13)41(32(14)28(37)10)49(17,18)42-33(15)29(11)38(30(12)34(42)16)48-40-26(8)22(4)20(2)24(6)36(40)44-46-48/h1-18H3
InChIKeyQLWGVTOFAJYDTA-UHFFFAOYSA-N
XLogP8.91
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.02
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3,6-dimethyl-5-(4,5,6,7-tetramethylbenzotriazol-1-yl)pyrazin-2-yl]-4,5,6,7-tetramethylbenzotriazole
CID 59246649
1,4,6,7-tetramethyl-5-[2,3,5,6-tetramethyl-4-(1,4,6,7-tetramethylbenzotriazol-5-yl)phenyl]benzotriazole
CID 59246644
1,4,6,7-tetramethyl-5-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(1,4,6,7-tetramethylbenzotriazol-5-yl)phenyl]propan-2-yl]phenyl]benzotriazole
CID 59246650
1,5,6,7-tetrabutyl-4-methylbenzotriazole
CID 174823154
methane;1,2,3,4,5,6,7,8,9-nonamethylcarbazole
CID 158365814
5-chloro-7-methyl-3-phenyltriazolo[4,5-d]pyrimidine
CID 23258932
dimethyl-bis(3,4,5,6,7-pentamethylindazol-1-yl)silane;3,4,5,6,7-pentamethyl-1-(3,4,5,6,7-pentamethylindazol-1-yl)oxyindazole;3,4,5,6,7-pentamethyl-1-[2-(3,4,5,6,7-pentamethylindazol-1-yl)propan-2-yl]indazole;3,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]indazole
CID 159735362
6-methyl-3-phenyl-4,8-dihydrooxepino[3,4-d]triazole
CID 10680805
5-(2,3-dimethylphenyl)-11-methyl-8-thia-3,4,5,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 23606309
2,5,6,7,8-pentamethyl-3,1-benzoxazin-4-one
CID 18684750
5-methyl-1-phenyl-4-(4-phenylphenyl)triazole
CID 140714399
ethyl (E)-3-[1,4-dimethyl-7-(trifluoromethoxy)benzotriazol-5-yl]prop-2-enoate
CID 169261420

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis[2,3,5,6-tetramethyl-4-(4,5,6,7-tetramethylbenzotriazol-1-yl)phenyl]silane?
The IUPAC name of dimethyl-bis[2,3,5,6-tetramethyl-4-(4,5,6,7-tetramethylbenzotriazol-1-yl)phenyl]silane (CID 59246698) is dimethyl-bis[2,3,5,6-tetramethyl-4-(4,5,6,7-tetramethylbenzotriazol-1-yl)phenyl]silane.
What is the SMILES notation for dimethyl-bis[2,3,5,6-tetramethyl-4-(4,5,6,7-tetramethylbenzotriazol-1-yl)phenyl]silane?
The canonical SMILES for dimethyl-bis[2,3,5,6-tetramethyl-4-(4,5,6,7-tetramethylbenzotriazol-1-yl)phenyl]silane is Cc1c(C)c([Si](C)(C)c2c(C)c(C)c(-n3nnc4c(C)c(C)c(C)c(C)c43)c(C)c2C)c(C)c(C)c1-n1nnc2c(C)c(C)c(C)c(C)c21.
What is the InChIKey of dimethyl-bis[2,3,5,6-tetramethyl-4-(4,5,6,7-tetramethylbenzotriazol-1-yl)phenyl]silane?
The InChIKey is QLWGVTOFAJYDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H54N6Si/c1-19-21(3)25(7)39-35(23(19)5)43-45-47(39)37-27(9)31(13)41(32(14)28(37)10)49(17,18)42-33(15)29(11)38(30(12)34(42)16)48-40-26(8)22(4)20(2)24(6)36(40)44-46-48/h1-18H3.
What are the key properties of dimethyl-bis[2,3,5,6-tetramethyl-4-(4,5,6,7-tetramethylbenzotriazol-1-yl)phenyl]silane?
dimethyl-bis[2,3,5,6-tetramethyl-4-(4,5,6,7-tetramethylbenzotriazol-1-yl)phenyl]silane has a molecular weight of 671.02 g/mol, XLogP of 8.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis[2,3,5,6-tetramethyl-4-(4,5,6,7-tetramethylbenzotriazol-1-yl)phenyl]silane is sourced from PubChem (CID 59246698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).