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

C43H54N6 — CID 59246650

IUPAC1,4,6,7-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
SMILESCc1c(C)c(C(C)(C)c2c(C)c(C)c(-c3c(C)c(C)c4c(nnn4C)c3C)c(C)c2C)c(C)c(C)c1-c1c(C)c(C)c2c(nnn2C)c1C
InChIInChI=1S/C43H54N6/c1-19-25(7)37(26(8)20(2)33(19)35-23(5)29(11)41-39(31(35)13)44-46-48(41)17)43(15,16)38-27(9)21(3)34(22(4)28(38)10)36-24(6)30(12)42-40(32(36)14)45-47-49(42)18/h1-18H3
InChIKeyCPGZQJZYNNKORG-UHFFFAOYSA-N
MW654.95 g/mol
LogP10.23
Rot. Bonds4

About 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

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 (PubChem CID 59246650) has the molecular formula C43H54N6 and a molecular weight of 654.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,4,6,7-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
PubChem CID59246650
Molecular FormulaC43H54N6
Molecular Weight654.95 g/mol
Exact Mass654.44
IUPAC Name1,4,6,7-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
SMILESCc1c(C)c(C(C)(C)c2c(C)c(C)c(-c3c(C)c(C)c4c(nnn4C)c3C)c(C)c2C)c(C)c(C)c1-c1c(C)c(C)c2c(nnn2C)c1C
InChIInChI=1S/C43H54N6/c1-19-25(7)37(26(8)20(2)33(19)35-23(5)29(11)41-39(31(35)13)44-46-48(41)17)43(15,16)38-27(9)21(3)34(22(4)28(38)10)36-24(6)30(12)42-40(32(36)14)45-47-49(42)18/h1-18H3
InChIKeyCPGZQJZYNNKORG-UHFFFAOYSA-N
XLogP10.23
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.95
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

1,4,6,7-tetramethyl-5-[2,3,5,6-tetramethyl-4-(1,4,6,7-tetramethylbenzotriazol-5-yl)phenyl]benzotriazole
CID 59246644
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
5-bromo-1,4,7-trimethylbenzotriazole
CID 122660612
ethyl (E)-3-[1,4-dimethyl-7-(trifluoromethoxy)benzotriazol-5-yl]prop-2-enoate
CID 169261420
1-[3,6-dimethyl-5-(4,5,6,7-tetramethylbenzotriazol-1-yl)pyrazin-2-yl]-4,5,6,7-tetramethylbenzotriazole
CID 59246649
3-[1,4-dimethyl-7-(trifluoromethoxy)benzotriazol-5-yl]propanoic acid
CID 175951909
1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene
CID 158215736
1,5-dimethyltriazole-4-carboxamide
CID 82207950
6-tert-butyl-1,4,5,7-tetramethylbenzimidazole
CID 159976896
1,2,3,4-tetramethyl-5,6-bis(3-methylpentan-3-yl)benzene
CID 90880331
1,2,3,5,6,7-hexamethyl-4-(2,3,4,5,6-pentamethylphenyl)indole
CID 59246621
5-tert-butyl-7-fluoro-1-methylbenzotriazole
CID 177117320

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(C)c(C(C)(C)c2c(C)c(C)c(-c3c(C)c(C)c4c(nnn4C)c3C)c(C)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-[2-[2,3,5,6-tetramethyl-4-(1,4,6,7-tetramethylbenzotriazol-5-yl)phenyl]propan-2-yl]phenyl]benzotriazole?
The InChIKey is CPGZQJZYNNKORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H54N6/c1-19-25(7)37(26(8)20(2)33(19)35-23(5)29(11)41-39(31(35)13)44-46-48(41)17)43(15,16)38-27(9)21(3)34(22(4)28(38)10)36-24(6)30(12)42-40(32(36)14)45-47-49(42)18/h1-18H3.
What are the key properties of 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?
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 has a molecular weight of 654.95 g/mol, XLogP of 10.23, 4 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-[2-[2,3,5,6-tetramethyl-4-(1,4,6,7-tetramethylbenzotriazol-5-yl)phenyl]propan-2-yl]phenyl]benzotriazole is sourced from PubChem (CID 59246650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).