4-naphthalen-1-yl-6-phthalazin-1-yl-2-(7H-purin-2-yl)-1-quinazolin-2-yl-7-quinoxalin-2-yl-2H-pteridine

C45H26N14 — CID 141039501

IUPAC4-naphthalen-1-yl-6-phthalazin-1-yl-2-(7H-purin-2-yl)-1-quinazolin-2-yl-7-quinoxalin-2-yl-2H-pteridine
SMILESc1ccc2nc(N3c4nc(-c5cnc6ccccc6n5)c(-c5nncc6ccccc56)nc4C(c4cccc5ccccc45)=NC3c3ncc4[nH]cnc4n3)ncc2c1
InChIInChI=1S/C45H26N14/c1-4-14-28-25(10-1)13-9-16-30(28)36-40-43(59(45-48-20-27-12-3-6-17-31(27)53-45)44(55-36)42-47-23-35-41(57-42)50-24-49-35)56-38(34-22-46-32-18-7-8-19-33(32)52-34)39(54-40)37-29-15-5-2-11-26(29)21-51-58-37/h1-24,44H,(H,47,49,50,57)
InChIKeyLCAFDKJUQHOBBF-UHFFFAOYSA-N
MW762.80 g/mol
LogP8.15
Rot. Bonds5

About 4-naphthalen-1-yl-6-phthalazin-1-yl-2-(7H-purin-2-yl)-1-quinazolin-2-yl-7-quinoxalin-2-yl-2H-pteridine

4-naphthalen-1-yl-6-phthalazin-1-yl-2-(7H-purin-2-yl)-1-quinazolin-2-yl-7-quinoxalin-2-yl-2H-pteridine (PubChem CID 141039501) has the molecular formula C45H26N14 and a molecular weight of 762.80 g/mol. Its IUPAC name is 4-naphthalen-1-yl-6-phthalazin-1-yl-2-(7H-purin-2-yl)-1-quinazolin-2-yl-7-quinoxalin-2-yl-2H-pteridine.

Molecular Properties

Compound Name4-naphthalen-1-yl-6-phthalazin-1-yl-2-(7H-purin-2-yl)-1-quinazolin-2-yl-7-quinoxalin-2-yl-2H-pteridine
PubChem CID141039501
Molecular FormulaC45H26N14
Molecular Weight762.80 g/mol
Exact Mass762.25
IUPAC Name4-naphthalen-1-yl-6-phthalazin-1-yl-2-(7H-purin-2-yl)-1-quinazolin-2-yl-7-quinoxalin-2-yl-2H-pteridine
SMILESc1ccc2nc(N3c4nc(-c5cnc6ccccc6n5)c(-c5nncc6ccccc56)nc4C(c4cccc5ccccc45)=NC3c3ncc4[nH]cnc4n3)ncc2c1
InChIInChI=1S/C45H26N14/c1-4-14-28-25(10-1)13-9-16-30(28)36-40-43(59(45-48-20-27-12-3-6-17-31(27)53-45)44(55-36)42-47-23-35-41(57-42)50-24-49-35)56-38(34-22-46-32-18-7-8-19-33(32)52-34)39(54-40)37-29-15-5-2-11-26(29)21-51-58-37/h1-24,44H,(H,47,49,50,57)
InChIKeyLCAFDKJUQHOBBF-UHFFFAOYSA-N
XLogP8.15
TPSA173.18 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500762.80
LogP ≤ 58.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 4-naphthalen-1-yl-6-phthalazin-1-yl-2-(7H-purin-2-yl)-1-quinazolin-2-yl-7-quinoxalin-2-yl-2H-pteridine with MolForge

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Launch Full Analysis

Related Compounds

2-phthalazin-1-yl-3-quinazolin-2-ylquinoxaline
CID 140979665
1-quinazolin-2-ylphthalazine
CID 57181955
6-phthalazin-1-yl-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine
CID 141186214
2-(benzimidazol-1-yl)-7H-purine
CID 57430843
7-isoquinolin-1-yl-6-phthalazin-1-yl-4-quinazolin-2-yl-8-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine
CID 141186223
2-imidazo[1,2-a]pyridin-2-yl-3-phthalazin-1-yl-5-quinoxalin-2-ylimidazo[2,1-b][1,3]thiazole
CID 141085850
2-(3H-benzimidazol-5-yl)quinoxaline
CID 126589483
phenanthridine;7H-purin-6-amine
CID 90006324
phenanthridine
CID 9189
7-(1H-benzimidazol-2-yl)-6-(1H-benzotriazol-4-yl)-2-isoquinolin-1-yl-4-(7H-purin-2-yl)-3-quinolin-2-yl-1,5-naphthyridine
CID 141329829
phenanthridine;platinum(2+)
CID 23616726
7-naphthalen-1-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline;7-phenanthren-9-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline
CID 165020790

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-6-phthalazin-1-yl-2-(7H-purin-2-yl)-1-quinazolin-2-yl-7-quinoxalin-2-yl-2H-pteridine?
The IUPAC name of 4-naphthalen-1-yl-6-phthalazin-1-yl-2-(7H-purin-2-yl)-1-quinazolin-2-yl-7-quinoxalin-2-yl-2H-pteridine (CID 141039501) is 4-naphthalen-1-yl-6-phthalazin-1-yl-2-(7H-purin-2-yl)-1-quinazolin-2-yl-7-quinoxalin-2-yl-2H-pteridine.
What is the SMILES notation for 4-naphthalen-1-yl-6-phthalazin-1-yl-2-(7H-purin-2-yl)-1-quinazolin-2-yl-7-quinoxalin-2-yl-2H-pteridine?
The canonical SMILES for 4-naphthalen-1-yl-6-phthalazin-1-yl-2-(7H-purin-2-yl)-1-quinazolin-2-yl-7-quinoxalin-2-yl-2H-pteridine is c1ccc2nc(N3c4nc(-c5cnc6ccccc6n5)c(-c5nncc6ccccc56)nc4C(c4cccc5ccccc45)=NC3c3ncc4[nH]cnc4n3)ncc2c1.
What is the InChIKey of 4-naphthalen-1-yl-6-phthalazin-1-yl-2-(7H-purin-2-yl)-1-quinazolin-2-yl-7-quinoxalin-2-yl-2H-pteridine?
The InChIKey is LCAFDKJUQHOBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N14/c1-4-14-28-25(10-1)13-9-16-30(28)36-40-43(59(45-48-20-27-12-3-6-17-31(27)53-45)44(55-36)42-47-23-35-41(57-42)50-24-49-35)56-38(34-22-46-32-18-7-8-19-33(32)52-34)39(54-40)37-29-15-5-2-11-26(29)21-51-58-37/h1-24,44H,(H,47,49,50,57).
What are the key properties of 4-naphthalen-1-yl-6-phthalazin-1-yl-2-(7H-purin-2-yl)-1-quinazolin-2-yl-7-quinoxalin-2-yl-2H-pteridine?
4-naphthalen-1-yl-6-phthalazin-1-yl-2-(7H-purin-2-yl)-1-quinazolin-2-yl-7-quinoxalin-2-yl-2H-pteridine has a molecular weight of 762.80 g/mol, XLogP of 8.15, 5 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-6-phthalazin-1-yl-2-(7H-purin-2-yl)-1-quinazolin-2-yl-7-quinoxalin-2-yl-2H-pteridine is sourced from PubChem (CID 141039501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).