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

C30H36N6 — CID 59246644

IUPAC1,4,6,7-tetramethyl-5-[2,3,5,6-tetramethyl-4-(1,4,6,7-tetramethylbenzotriazol-5-yl)phenyl]benzotriazole
SMILESCc1c(C)c(-c2c(C)c(C)c3c(nnn3C)c2C)c(C)c(C)c1-c1c(C)c(C)c2c(nnn2C)c1C
InChIInChI=1S/C30H36N6/c1-13-14(2)24(26-18(6)20(8)30-28(22(26)10)32-34-36(30)12)16(4)15(3)23(13)25-17(5)19(7)29-27(21(25)9)31-33-35(29)11/h1-12H3
InChIKeyOCRGSVANFAHWSE-UHFFFAOYSA-N
MW480.66 g/mol
LogP6.67
Rot. Bonds2

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

1,4,6,7-tetramethyl-5-[2,3,5,6-tetramethyl-4-(1,4,6,7-tetramethylbenzotriazol-5-yl)phenyl]benzotriazole (PubChem CID 59246644) has the molecular formula C30H36N6 and a molecular weight of 480.66 g/mol. Its IUPAC name is 1,4,6,7-tetramethyl-5-[2,3,5,6-tetramethyl-4-(1,4,6,7-tetramethylbenzotriazol-5-yl)phenyl]benzotriazole.

Molecular Properties

Compound Name1,4,6,7-tetramethyl-5-[2,3,5,6-tetramethyl-4-(1,4,6,7-tetramethylbenzotriazol-5-yl)phenyl]benzotriazole
PubChem CID59246644
Molecular FormulaC30H36N6
Molecular Weight480.66 g/mol
Exact Mass480.30
IUPAC Name1,4,6,7-tetramethyl-5-[2,3,5,6-tetramethyl-4-(1,4,6,7-tetramethylbenzotriazol-5-yl)phenyl]benzotriazole
SMILESCc1c(C)c(-c2c(C)c(C)c3c(nnn3C)c2C)c(C)c(C)c1-c1c(C)c(C)c2c(nnn2C)c1C
InChIInChI=1S/C30H36N6/c1-13-14(2)24(26-18(6)20(8)30-28(22(26)10)32-34-36(30)12)16(4)15(3)23(13)25-17(5)19(7)29-27(21(25)9)31-33-35(29)11/h1-12H3
InChIKeyOCRGSVANFAHWSE-UHFFFAOYSA-N
XLogP6.67
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.66
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
5-bromo-1,4,7-trimethylbenzotriazole
CID 122660612
1,3,4,6,7-pentamethyl-5-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(1,3,4,6,7-pentamethylindazol-5-yl)phenyl]propan-2-yl]phenyl]indazole
CID 59181203
1-[3,6-dimethyl-5-(4,5,6,7-tetramethylbenzotriazol-1-yl)pyrazin-2-yl]-4,5,6,7-tetramethylbenzotriazole
CID 59246649
1,5-dimethyltriazole-4-carboxamide
CID 82207950
1,2,3,4,5-pentamethyl-6-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]benzene
CID 145429848
1,2,3,5,6,7-hexamethyl-4-(2,3,4,5,6-pentamethylphenyl)indole
CID 59246621
4-chloro-3-methyl-6H-triazolo[4,5-d]pyridazin-7-one
CID 135519037
dimethyl-bis[2,3,5,6-tetramethyl-4-(4,5,6,7-tetramethylbenzotriazol-1-yl)phenyl]silane
CID 59246698
1-methyltriazolo[4,5-c]pyridin-7-amine;dihydrochloride
CID 167739027
3-[1,4-dimethyl-7-(trifluoromethoxy)benzotriazol-5-yl]propanoic acid
CID 175951909
N'-(1,7-dimethyltriazolo[4,5-d]pyrimidin-5-yl)-N'-methylethane-1,2-diamine
CID 83838341

Frequently Asked Questions

What is the IUPAC name of 1,4,6,7-tetramethyl-5-[2,3,5,6-tetramethyl-4-(1,4,6,7-tetramethylbenzotriazol-5-yl)phenyl]benzotriazole?
The IUPAC name of 1,4,6,7-tetramethyl-5-[2,3,5,6-tetramethyl-4-(1,4,6,7-tetramethylbenzotriazol-5-yl)phenyl]benzotriazole (CID 59246644) is 1,4,6,7-tetramethyl-5-[2,3,5,6-tetramethyl-4-(1,4,6,7-tetramethylbenzotriazol-5-yl)phenyl]benzotriazole.
What is the SMILES notation for 1,4,6,7-tetramethyl-5-[2,3,5,6-tetramethyl-4-(1,4,6,7-tetramethylbenzotriazol-5-yl)phenyl]benzotriazole?
The canonical SMILES for 1,4,6,7-tetramethyl-5-[2,3,5,6-tetramethyl-4-(1,4,6,7-tetramethylbenzotriazol-5-yl)phenyl]benzotriazole is Cc1c(C)c(-c2c(C)c(C)c3c(nnn3C)c2C)c(C)c(C)c1-c1c(C)c(C)c2c(nnn2C)c1C.
What is the InChIKey of 1,4,6,7-tetramethyl-5-[2,3,5,6-tetramethyl-4-(1,4,6,7-tetramethylbenzotriazol-5-yl)phenyl]benzotriazole?
The InChIKey is OCRGSVANFAHWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6/c1-13-14(2)24(26-18(6)20(8)30-28(22(26)10)32-34-36(30)12)16(4)15(3)23(13)25-17(5)19(7)29-27(21(25)9)31-33-35(29)11/h1-12H3.
What are the key properties of 1,4,6,7-tetramethyl-5-[2,3,5,6-tetramethyl-4-(1,4,6,7-tetramethylbenzotriazol-5-yl)phenyl]benzotriazole?
1,4,6,7-tetramethyl-5-[2,3,5,6-tetramethyl-4-(1,4,6,7-tetramethylbenzotriazol-5-yl)phenyl]benzotriazole has a molecular weight of 480.66 g/mol, XLogP of 6.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6,7-tetramethyl-5-[2,3,5,6-tetramethyl-4-(1,4,6,7-tetramethylbenzotriazol-5-yl)phenyl]benzotriazole is sourced from PubChem (CID 59246644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).