9-(3,4-dimethoxyphenyl)-N,N,8-tris(4-methoxyphenyl)purin-6-amine

C34H31N5O5 — CID 25138816

IUPAC9-(3,4-dimethoxyphenyl)-N,N,8-tris(4-methoxyphenyl)purin-6-amine
SMILESCOc1ccc(-c2nc3c(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ncnc3n2-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C34H31N5O5/c1-40-26-13-6-22(7-14-26)32-37-31-33(35-21-36-34(31)39(32)25-12-19-29(43-4)30(20-25)44-5)38(23-8-15-27(41-2)16-9-23)24-10-17-28(42-3)18-11-24/h6-21H,1-5H3
InChIKeyTZMVGXYOZRQFNI-UHFFFAOYSA-N
MW589.65 g/mol
LogP7.00
Rot. Bonds10

About 9-(3,4-dimethoxyphenyl)-N,N,8-tris(4-methoxyphenyl)purin-6-amine

9-(3,4-dimethoxyphenyl)-N,N,8-tris(4-methoxyphenyl)purin-6-amine (PubChem CID 25138816) has the molecular formula C34H31N5O5 and a molecular weight of 589.65 g/mol. Its IUPAC name is 9-(3,4-dimethoxyphenyl)-N,N,8-tris(4-methoxyphenyl)purin-6-amine.

Molecular Properties

Compound Name9-(3,4-dimethoxyphenyl)-N,N,8-tris(4-methoxyphenyl)purin-6-amine
PubChem CID25138816
Molecular FormulaC34H31N5O5
Molecular Weight589.65 g/mol
Exact Mass589.23
IUPAC Name9-(3,4-dimethoxyphenyl)-N,N,8-tris(4-methoxyphenyl)purin-6-amine
SMILESCOc1ccc(-c2nc3c(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ncnc3n2-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C34H31N5O5/c1-40-26-13-6-22(7-14-26)32-37-31-33(35-21-36-34(31)39(32)25-12-19-29(43-4)30(20-25)44-5)38(23-8-15-27(41-2)16-9-23)24-10-17-28(42-3)18-11-24/h6-21H,1-5H3
InChIKeyTZMVGXYOZRQFNI-UHFFFAOYSA-N
XLogP7.00
TPSA92.99 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.65
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-(3,4-dimethoxyphenyl)-N,N,8-tris(4-methoxyphenyl)purin-6-amine with MolForge

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Related Compounds

8,9-bis(3,4-dimethoxyphenyl)purin-6-amine
CID 25140418
8-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-9-propan-2-ylpurine
CID 25138818
6-(3,4-dimethoxyphenyl)-8-[6-(3,4-dimethoxyphenyl)-9-propan-2-ylpurin-8-yl]-9-propan-2-ylpurine
CID 25140697
8-(4-methoxyphenyl)-9-methylpurin-6-amine
CID 69468314
N,N-diethyl-4-[2-(4-methoxyphenyl)imidazo[4,5-b]quinoxalin-3-yl]aniline
CID 7459680
3-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
CID 56683997
4-[5-ethyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline
CID 13174862
4-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 949684
3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 5202512
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 1142987
4-(3,4-dimethoxyphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 25196615

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dimethoxyphenyl)-N,N,8-tris(4-methoxyphenyl)purin-6-amine?
The IUPAC name of 9-(3,4-dimethoxyphenyl)-N,N,8-tris(4-methoxyphenyl)purin-6-amine (CID 25138816) is 9-(3,4-dimethoxyphenyl)-N,N,8-tris(4-methoxyphenyl)purin-6-amine.
What is the SMILES notation for 9-(3,4-dimethoxyphenyl)-N,N,8-tris(4-methoxyphenyl)purin-6-amine?
The canonical SMILES for 9-(3,4-dimethoxyphenyl)-N,N,8-tris(4-methoxyphenyl)purin-6-amine is COc1ccc(-c2nc3c(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ncnc3n2-c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 9-(3,4-dimethoxyphenyl)-N,N,8-tris(4-methoxyphenyl)purin-6-amine?
The InChIKey is TZMVGXYOZRQFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N5O5/c1-40-26-13-6-22(7-14-26)32-37-31-33(35-21-36-34(31)39(32)25-12-19-29(43-4)30(20-25)44-5)38(23-8-15-27(41-2)16-9-23)24-10-17-28(42-3)18-11-24/h6-21H,1-5H3.
What are the key properties of 9-(3,4-dimethoxyphenyl)-N,N,8-tris(4-methoxyphenyl)purin-6-amine?
9-(3,4-dimethoxyphenyl)-N,N,8-tris(4-methoxyphenyl)purin-6-amine has a molecular weight of 589.65 g/mol, XLogP of 7.00, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dimethoxyphenyl)-N,N,8-tris(4-methoxyphenyl)purin-6-amine is sourced from PubChem (CID 25138816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).