5,5,8,8-tetramethyl-3-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydro-1,2,4-benzotriazin-3-yl)-2-pyridinyl]-2-pyridinyl]-6,7-dihydro-1,2,4-benzotriazine

C32H38N8 — CID 53252930

IUPAC5,5,8,8-tetramethyl-3-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydro-1,2,4-benzotriazin-3-yl)-2-pyridinyl]-2-pyridinyl]-6,7-dihydro-1,2,4-benzotriazine
SMILESCC1(C)CCC(C)(C)c2nc(-c3cccc(-c4cccc(-c5nnc6c(n5)C(C)(C)CCC6(C)C)n4)n3)nnc21
InChIInChI=1S/C32H38N8/c1-29(2)15-17-31(5,6)25-23(29)35-27(39-37-25)21-13-9-11-19(33-21)20-12-10-14-22(34-20)28-36-24-26(38-40-28)32(7,8)18-16-30(24,3)4/h9-14H,15-18H2,1-8H3
InChIKeyLQMBIVGFROFSKX-UHFFFAOYSA-N
MW534.71 g/mol
LogP6.55
Rot. Bonds3

About 5,5,8,8-tetramethyl-3-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydro-1,2,4-benzotriazin-3-yl)-2-pyridinyl]-2-pyridinyl]-6,7-dihydro-1,2,4-benzotriazine

5,5,8,8-tetramethyl-3-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydro-1,2,4-benzotriazin-3-yl)-2-pyridinyl]-2-pyridinyl]-6,7-dihydro-1,2,4-benzotriazine (PubChem CID 53252930) has the molecular formula C32H38N8 and a molecular weight of 534.71 g/mol. Its IUPAC name is 5,5,8,8-tetramethyl-3-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydro-1,2,4-benzotriazin-3-yl)-2-pyridinyl]-2-pyridinyl]-6,7-dihydro-1,2,4-benzotriazine.

Molecular Properties

Compound Name5,5,8,8-tetramethyl-3-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydro-1,2,4-benzotriazin-3-yl)-2-pyridinyl]-2-pyridinyl]-6,7-dihydro-1,2,4-benzotriazine
PubChem CID53252930
Molecular FormulaC32H38N8
Molecular Weight534.71 g/mol
Exact Mass534.32
IUPAC Name5,5,8,8-tetramethyl-3-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydro-1,2,4-benzotriazin-3-yl)-2-pyridinyl]-2-pyridinyl]-6,7-dihydro-1,2,4-benzotriazine
SMILESCC1(C)CCC(C)(C)c2nc(-c3cccc(-c4cccc(-c5nnc6c(n5)C(C)(C)CCC6(C)C)n4)n3)nnc21
InChIInChI=1S/C32H38N8/c1-29(2)15-17-31(5,6)25-23(29)35-27(39-37-25)21-13-9-11-19(33-21)20-12-10-14-22(34-20)28-36-24-26(38-40-28)32(7,8)18-16-30(24,3)4/h9-14H,15-18H2,1-8H3
InChIKeyLQMBIVGFROFSKX-UHFFFAOYSA-N
XLogP6.55
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.71
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5,5,8,8-tetramethyl-3-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydro-1,2,4-benzotriazin-3-yl)-2-pyridinyl]-2-pyridinyl]-6,7-dihydro-1,2,4-benzotriazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,5,8,8-tetramethyl-3-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydro-1,2,4-benzotriazin-3-yl)-2-pyridinyl]-2-pyridinyl]-6,7-dihydro-1,2,4-benzotriazine?
The IUPAC name of 5,5,8,8-tetramethyl-3-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydro-1,2,4-benzotriazin-3-yl)-2-pyridinyl]-2-pyridinyl]-6,7-dihydro-1,2,4-benzotriazine (CID 53252930) is 5,5,8,8-tetramethyl-3-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydro-1,2,4-benzotriazin-3-yl)-2-pyridinyl]-2-pyridinyl]-6,7-dihydro-1,2,4-benzotriazine.
What is the SMILES notation for 5,5,8,8-tetramethyl-3-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydro-1,2,4-benzotriazin-3-yl)-2-pyridinyl]-2-pyridinyl]-6,7-dihydro-1,2,4-benzotriazine?
The canonical SMILES for 5,5,8,8-tetramethyl-3-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydro-1,2,4-benzotriazin-3-yl)-2-pyridinyl]-2-pyridinyl]-6,7-dihydro-1,2,4-benzotriazine is CC1(C)CCC(C)(C)c2nc(-c3cccc(-c4cccc(-c5nnc6c(n5)C(C)(C)CCC6(C)C)n4)n3)nnc21.
What is the InChIKey of 5,5,8,8-tetramethyl-3-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydro-1,2,4-benzotriazin-3-yl)-2-pyridinyl]-2-pyridinyl]-6,7-dihydro-1,2,4-benzotriazine?
The InChIKey is LQMBIVGFROFSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N8/c1-29(2)15-17-31(5,6)25-23(29)35-27(39-37-25)21-13-9-11-19(33-21)20-12-10-14-22(34-20)28-36-24-26(38-40-28)32(7,8)18-16-30(24,3)4/h9-14H,15-18H2,1-8H3.
What are the key properties of 5,5,8,8-tetramethyl-3-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydro-1,2,4-benzotriazin-3-yl)-2-pyridinyl]-2-pyridinyl]-6,7-dihydro-1,2,4-benzotriazine?
5,5,8,8-tetramethyl-3-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydro-1,2,4-benzotriazin-3-yl)-2-pyridinyl]-2-pyridinyl]-6,7-dihydro-1,2,4-benzotriazine has a molecular weight of 534.71 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,8,8-tetramethyl-3-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydro-1,2,4-benzotriazin-3-yl)-2-pyridinyl]-2-pyridinyl]-6,7-dihydro-1,2,4-benzotriazine is sourced from PubChem (CID 53252930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).