5,8-ditert-butyl-N-(5,8-ditert-butyl-3-methylimidazo[2,1-f][1,6]naphthyridin-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)imidazo[2,1-f][1,6]naphthyridin-2-amine

C47H59N7 — CID 71181350

IUPAC5,8-ditert-butyl-N-(5,8-ditert-butyl-3-methylimidazo[2,1-f][1,6]naphthyridin-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)imidazo[2,1-f][1,6]naphthyridin-2-amine
SMILESCc1cc(C)c(N(c2nc3c4ccc(C(C)(C)C)nc4cc(C(C)(C)C)n3c2C)c2nc3c4ccc(C(C)(C)C)nc4cc(C(C)(C)C)n3c2C)c(C)c1
InChIInChI=1S/C47H59N7/c1-26-22-27(2)39(28(3)23-26)54(40-29(4)52-37(46(12,13)14)24-33-31(42(52)50-40)18-20-35(48-33)44(6,7)8)41-30(5)53-38(47(15,16)17)25-34-32(43(53)51-41)19-21-36(49-34)45(9,10)11/h18-25H,1-17H3
InChIKeyMAQNCLHXTQPDEO-UHFFFAOYSA-N
MW722.04 g/mol
LogP12.28
Rot. Bonds3

About 5,8-ditert-butyl-N-(5,8-ditert-butyl-3-methylimidazo[2,1-f][1,6]naphthyridin-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)imidazo[2,1-f][1,6]naphthyridin-2-amine

5,8-ditert-butyl-N-(5,8-ditert-butyl-3-methylimidazo[2,1-f][1,6]naphthyridin-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)imidazo[2,1-f][1,6]naphthyridin-2-amine (PubChem CID 71181350) has the molecular formula C47H59N7 and a molecular weight of 722.04 g/mol. Its IUPAC name is 5,8-ditert-butyl-N-(5,8-ditert-butyl-3-methylimidazo[2,1-f][1,6]naphthyridin-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)imidazo[2,1-f][1,6]naphthyridin-2-amine.

Molecular Properties

Compound Name5,8-ditert-butyl-N-(5,8-ditert-butyl-3-methylimidazo[2,1-f][1,6]naphthyridin-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)imidazo[2,1-f][1,6]naphthyridin-2-amine
PubChem CID71181350
Molecular FormulaC47H59N7
Molecular Weight722.04 g/mol
Exact Mass721.48
IUPAC Name5,8-ditert-butyl-N-(5,8-ditert-butyl-3-methylimidazo[2,1-f][1,6]naphthyridin-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)imidazo[2,1-f][1,6]naphthyridin-2-amine
SMILESCc1cc(C)c(N(c2nc3c4ccc(C(C)(C)C)nc4cc(C(C)(C)C)n3c2C)c2nc3c4ccc(C(C)(C)C)nc4cc(C(C)(C)C)n3c2C)c(C)c1
InChIInChI=1S/C47H59N7/c1-26-22-27(2)39(28(3)23-26)54(40-29(4)52-37(46(12,13)14)24-33-31(42(52)50-40)18-20-35(48-33)44(6,7)8)41-30(5)53-38(47(15,16)17)25-34-32(43(53)51-41)19-21-36(49-34)45(9,10)11/h18-25H,1-17H3
InChIKeyMAQNCLHXTQPDEO-UHFFFAOYSA-N
XLogP12.28
TPSA63.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.04
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5,8-ditert-butyl-N-(5,8-ditert-butyl-3-methylimidazo[2,1-f][1,6]naphthyridin-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)imidazo[2,1-f][1,6]naphthyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,8-ditert-butyl-N-(5,8-ditert-butyl-3-methylimidazo[2,1-f][1,6]naphthyridin-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)imidazo[2,1-f][1,6]naphthyridin-2-amine?
The IUPAC name of 5,8-ditert-butyl-N-(5,8-ditert-butyl-3-methylimidazo[2,1-f][1,6]naphthyridin-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)imidazo[2,1-f][1,6]naphthyridin-2-amine (CID 71181350) is 5,8-ditert-butyl-N-(5,8-ditert-butyl-3-methylimidazo[2,1-f][1,6]naphthyridin-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)imidazo[2,1-f][1,6]naphthyridin-2-amine.
What is the SMILES notation for 5,8-ditert-butyl-N-(5,8-ditert-butyl-3-methylimidazo[2,1-f][1,6]naphthyridin-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)imidazo[2,1-f][1,6]naphthyridin-2-amine?
The canonical SMILES for 5,8-ditert-butyl-N-(5,8-ditert-butyl-3-methylimidazo[2,1-f][1,6]naphthyridin-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)imidazo[2,1-f][1,6]naphthyridin-2-amine is Cc1cc(C)c(N(c2nc3c4ccc(C(C)(C)C)nc4cc(C(C)(C)C)n3c2C)c2nc3c4ccc(C(C)(C)C)nc4cc(C(C)(C)C)n3c2C)c(C)c1.
What is the InChIKey of 5,8-ditert-butyl-N-(5,8-ditert-butyl-3-methylimidazo[2,1-f][1,6]naphthyridin-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)imidazo[2,1-f][1,6]naphthyridin-2-amine?
The InChIKey is MAQNCLHXTQPDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H59N7/c1-26-22-27(2)39(28(3)23-26)54(40-29(4)52-37(46(12,13)14)24-33-31(42(52)50-40)18-20-35(48-33)44(6,7)8)41-30(5)53-38(47(15,16)17)25-34-32(43(53)51-41)19-21-36(49-34)45(9,10)11/h18-25H,1-17H3.
What are the key properties of 5,8-ditert-butyl-N-(5,8-ditert-butyl-3-methylimidazo[2,1-f][1,6]naphthyridin-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)imidazo[2,1-f][1,6]naphthyridin-2-amine?
5,8-ditert-butyl-N-(5,8-ditert-butyl-3-methylimidazo[2,1-f][1,6]naphthyridin-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)imidazo[2,1-f][1,6]naphthyridin-2-amine has a molecular weight of 722.04 g/mol, XLogP of 12.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-ditert-butyl-N-(5,8-ditert-butyl-3-methylimidazo[2,1-f][1,6]naphthyridin-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)imidazo[2,1-f][1,6]naphthyridin-2-amine is sourced from PubChem (CID 71181350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).