4-(4-tert-butylnaphthalen-2-yl)benzo[g]pteridine

C24H20N4 — CID 156629468

IUPAC4-(4-tert-butylnaphthalen-2-yl)benzo[g]pteridine
SMILESCC(C)(C)c1cc(-c2ncnc3nc4ccccc4nc23)cc2ccccc12
InChIInChI=1S/C24H20N4/c1-24(2,3)18-13-16(12-15-8-4-5-9-17(15)18)21-22-23(26-14-25-21)28-20-11-7-6-10-19(20)27-22/h4-14H,1-3H3
InChIKeyXGYLUGUUQOMKCR-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.69
Rot. Bonds1

About 4-(4-tert-butylnaphthalen-2-yl)benzo[g]pteridine

4-(4-tert-butylnaphthalen-2-yl)benzo[g]pteridine (PubChem CID 156629468) has the molecular formula C24H20N4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-(4-tert-butylnaphthalen-2-yl)benzo[g]pteridine.

Molecular Properties

Compound Name4-(4-tert-butylnaphthalen-2-yl)benzo[g]pteridine
PubChem CID156629468
Molecular FormulaC24H20N4
Molecular Weight364.45 g/mol
Exact Mass364.17
IUPAC Name4-(4-tert-butylnaphthalen-2-yl)benzo[g]pteridine
SMILESCC(C)(C)c1cc(-c2ncnc3nc4ccccc4nc23)cc2ccccc12
InChIInChI=1S/C24H20N4/c1-24(2,3)18-13-16(12-15-8-4-5-9-17(15)18)21-22-23(26-14-25-21)28-20-11-7-6-10-19(20)27-22/h4-14H,1-3H3
InChIKeyXGYLUGUUQOMKCR-UHFFFAOYSA-N
XLogP5.69
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-tert-butylnaphthalen-2-yl)benzo[g]quinazoline-10-carbonitrile
CID 163364379
4-(4-tert-butylnaphthalen-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidine
CID 153428560
zinc;4-(4-tert-butylnaphthalen-2-yl)benzo[g]quinazoline-10-carbonitrile;4-(4-tert-butylnaphthalen-2-yl)-10-chlorobenzo[g]quinazoline;dicyanide
CID 165069065
15-(4-tert-butylnaphthalen-2-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene
CID 171581251
4-(4-tert-butylnaphthalen-2-yl)-6-(3,4-dimethyl-5-phenylthiophen-2-yl)-7-methylthieno[3,2-d]pyrimidine
CID 163493015
2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1,3-benzothiazole
CID 156665312
4-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline
CID 171450283
6-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]furo[2,3-b]pyridine
CID 171741459
4-(1-benzofuran-2-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine
CID 171741463
6-(4-tert-butylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]quinoline
CID 167354335
2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline
CID 134387972
4-(4-tert-butylnaphthalen-2-yl)-7-isocyano-6-methyl-[1]benzothiolo[3,2-d]pyrimidine
CID 164783347

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylnaphthalen-2-yl)benzo[g]pteridine?
The IUPAC name of 4-(4-tert-butylnaphthalen-2-yl)benzo[g]pteridine (CID 156629468) is 4-(4-tert-butylnaphthalen-2-yl)benzo[g]pteridine.
What is the SMILES notation for 4-(4-tert-butylnaphthalen-2-yl)benzo[g]pteridine?
The canonical SMILES for 4-(4-tert-butylnaphthalen-2-yl)benzo[g]pteridine is CC(C)(C)c1cc(-c2ncnc3nc4ccccc4nc23)cc2ccccc12.
What is the InChIKey of 4-(4-tert-butylnaphthalen-2-yl)benzo[g]pteridine?
The InChIKey is XGYLUGUUQOMKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4/c1-24(2,3)18-13-16(12-15-8-4-5-9-17(15)18)21-22-23(26-14-25-21)28-20-11-7-6-10-19(20)27-22/h4-14H,1-3H3.
What are the key properties of 4-(4-tert-butylnaphthalen-2-yl)benzo[g]pteridine?
4-(4-tert-butylnaphthalen-2-yl)benzo[g]pteridine has a molecular weight of 364.45 g/mol, XLogP of 5.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylnaphthalen-2-yl)benzo[g]pteridine is sourced from PubChem (CID 156629468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).