9-benzyl-6-(7-methoxy-2,3-diphenylindol-1-yl)purine

C33H25N5O — CID 154717571

IUPAC9-benzyl-6-(7-methoxy-2,3-diphenylindol-1-yl)purine
SMILESCOc1cccc2c(-c3ccccc3)c(-c3ccccc3)n(-c3ncnc4c3ncn4Cc3ccccc3)c12
InChIInChI=1S/C33H25N5O/c1-39-27-19-11-18-26-28(24-14-7-3-8-15-24)30(25-16-9-4-10-17-25)38(31(26)27)33-29-32(34-21-35-33)37(22-36-29)20-23-12-5-2-6-13-23/h2-19,21-22H,20H2,1H3
InChIKeyBDHFDTIZFCMGMH-UHFFFAOYSA-N
MW507.60 g/mol
LogP7.16
Rot. Bonds6

About 9-benzyl-6-(7-methoxy-2,3-diphenylindol-1-yl)purine

9-benzyl-6-(7-methoxy-2,3-diphenylindol-1-yl)purine (PubChem CID 154717571) has the molecular formula C33H25N5O and a molecular weight of 507.60 g/mol. Its IUPAC name is 9-benzyl-6-(7-methoxy-2,3-diphenylindol-1-yl)purine.

Molecular Properties

Compound Name9-benzyl-6-(7-methoxy-2,3-diphenylindol-1-yl)purine
PubChem CID154717571
Molecular FormulaC33H25N5O
Molecular Weight507.60 g/mol
Exact Mass507.21
IUPAC Name9-benzyl-6-(7-methoxy-2,3-diphenylindol-1-yl)purine
SMILESCOc1cccc2c(-c3ccccc3)c(-c3ccccc3)n(-c3ncnc4c3ncn4Cc3ccccc3)c12
InChIInChI=1S/C33H25N5O/c1-39-27-19-11-18-26-28(24-14-7-3-8-15-24)30(25-16-9-4-10-17-25)38(31(26)27)33-29-32(34-21-35-33)37(22-36-29)20-23-12-5-2-6-13-23/h2-19,21-22H,20H2,1H3
InChIKeyBDHFDTIZFCMGMH-UHFFFAOYSA-N
XLogP7.16
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.60
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-benzyl-6-(2,3,4,5-tetraethyl-6-phenylphenyl)purine
CID 11248509
diethyl 2-[2-[(9-benzylpurin-6-yl)amino]-3-methoxyphenyl]propanedioate
CID 132534993
1-(9-benzylpurin-6-yl)naphthalen-2-ol
CID 135912215
9-benzyl-6-[(E)-2-(9-benzylpurin-6-yl)ethenyl]purine
CID 12067796
2-(9-benzylpurin-6-yl)-3-phenylbenzamide
CID 122531264
methyl 3-(9-benzylpurin-6-yl)-2-methylpropanoate
CID 11197660
9-benzyl-6-isocyanopurine
CID 18683091
11-benzyl-5-[(4-methoxyphenyl)methyl]-3,5,7,9,11,13-hexazatricyclo[8.3.0.02,6]trideca-1(10),2,6,8,12-pentaen-4-one
CID 71523881
9-benzyl-N-[3-(4-fluorophenyl)prop-2-ynyl]purin-6-amine
CID 154711041
9-benzyl-N-cyclopropylpurin-6-amine
CID 14022446
9-benzyl-6-(3-benzylimidazol-3-ium-1-yl)purine iodide
CID 11990932
1-benzyl-6-methoxy-2-phenylpyrrolo[3,2-c]quinoline
CID 134961907

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-6-(7-methoxy-2,3-diphenylindol-1-yl)purine?
The IUPAC name of 9-benzyl-6-(7-methoxy-2,3-diphenylindol-1-yl)purine (CID 154717571) is 9-benzyl-6-(7-methoxy-2,3-diphenylindol-1-yl)purine.
What is the SMILES notation for 9-benzyl-6-(7-methoxy-2,3-diphenylindol-1-yl)purine?
The canonical SMILES for 9-benzyl-6-(7-methoxy-2,3-diphenylindol-1-yl)purine is COc1cccc2c(-c3ccccc3)c(-c3ccccc3)n(-c3ncnc4c3ncn4Cc3ccccc3)c12.
What is the InChIKey of 9-benzyl-6-(7-methoxy-2,3-diphenylindol-1-yl)purine?
The InChIKey is BDHFDTIZFCMGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N5O/c1-39-27-19-11-18-26-28(24-14-7-3-8-15-24)30(25-16-9-4-10-17-25)38(31(26)27)33-29-32(34-21-35-33)37(22-36-29)20-23-12-5-2-6-13-23/h2-19,21-22H,20H2,1H3.
What are the key properties of 9-benzyl-6-(7-methoxy-2,3-diphenylindol-1-yl)purine?
9-benzyl-6-(7-methoxy-2,3-diphenylindol-1-yl)purine has a molecular weight of 507.60 g/mol, XLogP of 7.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-6-(7-methoxy-2,3-diphenylindol-1-yl)purine is sourced from PubChem (CID 154717571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).