N,N-dimethylformamide;octakis(7-(4-methoxyphenyl)-2,4-dimethyl-6-naphthalen-1-ylpurino[7,8-a]imidazole-1,3-dione)

C211H175N41O25 — CID 163355550

IUPACN,N-dimethylformamide;octakis(7-(4-methoxyphenyl)-2,4-dimethyl-6-naphthalen-1-ylpurino[7,8-a]imidazole-1,3-dione)
SMILESCN(C)C=O.COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc3ccccc23)cc1.COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc3ccccc23)cc1.COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc3ccccc23)cc1.COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc3ccccc23)cc1.COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc3ccccc23)cc1.COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc3ccccc23)cc1.COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc3ccccc23)cc1.COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc3ccccc23)cc1
InChIInChI=1S/8C26H21N5O3.C3H7NO/c8*1-28-23-22(24(32)29(2)26(28)33)30-15-21(17-11-13-18(34-3)14-12-17)31(25(30)27-23)20-10-6-8-16-7-4-5-9-19(16)20;1-4(2)3-5/h8*4-15H,1-3H3;3H,1-2H3
InChIKeyGTKRVLZGLRLJPN-UHFFFAOYSA-N
MW3684.98 g/mol
LogP27.74
Rot. Bonds25

About N,N-dimethylformamide;octakis(7-(4-methoxyphenyl)-2,4-dimethyl-6-naphthalen-1-ylpurino[7,8-a]imidazole-1,3-dione)

N,N-dimethylformamide;octakis(7-(4-methoxyphenyl)-2,4-dimethyl-6-naphthalen-1-ylpurino[7,8-a]imidazole-1,3-dione) (PubChem CID 163355550) has the molecular formula C211H175N41O25 and a molecular weight of 3684.98 g/mol. Its IUPAC name is N,N-dimethylformamide;octakis(7-(4-methoxyphenyl)-2,4-dimethyl-6-naphthalen-1-ylpurino[7,8-a]imidazole-1,3-dione).

Molecular Properties

Compound NameN,N-dimethylformamide;octakis(7-(4-methoxyphenyl)-2,4-dimethyl-6-naphthalen-1-ylpurino[7,8-a]imidazole-1,3-dione)
PubChem CID163355550
Molecular FormulaC211H175N41O25
Molecular Weight3684.98 g/mol
Exact Mass3682.37
IUPAC NameN,N-dimethylformamide;octakis(7-(4-methoxyphenyl)-2,4-dimethyl-6-naphthalen-1-ylpurino[7,8-a]imidazole-1,3-dione)
SMILESCN(C)C=O.COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc3ccccc23)cc1.COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc3ccccc23)cc1.COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc3ccccc23)cc1.COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc3ccccc23)cc1.COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc3ccccc23)cc1.COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc3ccccc23)cc1.COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc3ccccc23)cc1.COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc3ccccc23)cc1
InChIInChI=1S/8C26H21N5O3.C3H7NO/c8*1-28-23-22(24(32)29(2)26(28)33)30-15-21(17-11-13-18(34-3)14-12-17)31(25(30)27-23)20-10-6-8-16-7-4-5-9-19(16)20;1-4(2)3-5/h8*4-15H,1-3H3;3H,1-2H3
InChIKeyGTKRVLZGLRLJPN-UHFFFAOYSA-N
XLogP27.74
TPSA623.99 Ų
H-Bond Donors
H-Bond Acceptors65
Rotatable Bonds25
Heavy Atoms277
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003684.98
LogP ≤ 527.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1065

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;octakis(7-(4-methoxyphenyl)-2,4-dimethyl-6-naphthalen-1-ylpurino[7,8-a]imidazole-1,3-dione)?
The IUPAC name of N,N-dimethylformamide;octakis(7-(4-methoxyphenyl)-2,4-dimethyl-6-naphthalen-1-ylpurino[7,8-a]imidazole-1,3-dione) (CID 163355550) is N,N-dimethylformamide;octakis(7-(4-methoxyphenyl)-2,4-dimethyl-6-naphthalen-1-ylpurino[7,8-a]imidazole-1,3-dione).
What is the SMILES notation for N,N-dimethylformamide;octakis(7-(4-methoxyphenyl)-2,4-dimethyl-6-naphthalen-1-ylpurino[7,8-a]imidazole-1,3-dione)?
The canonical SMILES for N,N-dimethylformamide;octakis(7-(4-methoxyphenyl)-2,4-dimethyl-6-naphthalen-1-ylpurino[7,8-a]imidazole-1,3-dione) is CN(C)C=O.COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc3ccccc23)cc1.COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc3ccccc23)cc1.COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc3ccccc23)cc1.COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc3ccccc23)cc1.COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc3ccccc23)cc1.COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc3ccccc23)cc1.COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc3ccccc23)cc1.COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc3ccccc23)cc1.
What is the InChIKey of N,N-dimethylformamide;octakis(7-(4-methoxyphenyl)-2,4-dimethyl-6-naphthalen-1-ylpurino[7,8-a]imidazole-1,3-dione)?
The InChIKey is GTKRVLZGLRLJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/8C26H21N5O3.C3H7NO/c8*1-28-23-22(24(32)29(2)26(28)33)30-15-21(17-11-13-18(34-3)14-12-17)31(25(30)27-23)20-10-6-8-16-7-4-5-9-19(16)20;1-4(2)3-5/h8*4-15H,1-3H3;3H,1-2H3.
What are the key properties of N,N-dimethylformamide;octakis(7-(4-methoxyphenyl)-2,4-dimethyl-6-naphthalen-1-ylpurino[7,8-a]imidazole-1,3-dione)?
N,N-dimethylformamide;octakis(7-(4-methoxyphenyl)-2,4-dimethyl-6-naphthalen-1-ylpurino[7,8-a]imidazole-1,3-dione) has a molecular weight of 3684.98 g/mol, XLogP of 27.74, 25 rotatable bonds, 0 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;octakis(7-(4-methoxyphenyl)-2,4-dimethyl-6-naphthalen-1-ylpurino[7,8-a]imidazole-1,3-dione) is sourced from PubChem (CID 163355550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).