benzo[g]pteridine;1,7-phenanthroline

C22H14N6 — CID 69047537

IUPACbenzo[g]pteridine;1,7-phenanthroline
SMILESc1ccc2nc3ncncc3nc2c1.c1cnc2c(c1)ccc1ncccc12
InChIInChI=1S/C12H8N2.C10H6N4/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;1-2-4-8-7(3-1)13-9-5-11-6-12-10(9)14-8/h1-8H;1-6H
InChIKeyFEQSKEOZGNLBIL-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.36
Rot. Bonds

About benzo[g]pteridine;1,7-phenanthroline

benzo[g]pteridine;1,7-phenanthroline (PubChem CID 69047537) has the molecular formula C22H14N6 and a molecular weight of 362.40 g/mol. Its IUPAC name is benzo[g]pteridine;1,7-phenanthroline.

Molecular Properties

Compound Namebenzo[g]pteridine;1,7-phenanthroline
PubChem CID69047537
Molecular FormulaC22H14N6
Molecular Weight362.40 g/mol
Exact Mass362.13
IUPAC Namebenzo[g]pteridine;1,7-phenanthroline
SMILESc1ccc2nc3ncncc3nc2c1.c1cnc2c(c1)ccc1ncccc12
InChIInChI=1S/C12H8N2.C10H6N4/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;1-2-4-8-7(3-1)13-9-5-11-6-12-10(9)14-8/h1-8H;1-6H
InChIKeyFEQSKEOZGNLBIL-UHFFFAOYSA-N
XLogP4.36
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 174688507
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methanol;1,7-phenanthroline
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acridine;benzo[f]quinoline;benzo[g]quinoline;benzo[h]quinoline;phenanthridine;quinoline
CID 161059130
europium(3+);1,7-phenanthroline;trinitrate
CID 174550774
beryllium;benzo[h]quinoline;hydride;quinoline
CID 174631089
nitric acid;1,7-phenanthroline
CID 175111698
pyrido[3,2-h]quinazoline
CID 55297723
CID 87856781
CID 87856781
benzo[h]quinoline;naphthalene
CID 175017782
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CID 134346125
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Frequently Asked Questions

What is the IUPAC name of benzo[g]pteridine;1,7-phenanthroline?
The IUPAC name of benzo[g]pteridine;1,7-phenanthroline (CID 69047537) is benzo[g]pteridine;1,7-phenanthroline.
What is the SMILES notation for benzo[g]pteridine;1,7-phenanthroline?
The canonical SMILES for benzo[g]pteridine;1,7-phenanthroline is c1ccc2nc3ncncc3nc2c1.c1cnc2c(c1)ccc1ncccc12.
What is the InChIKey of benzo[g]pteridine;1,7-phenanthroline?
The InChIKey is FEQSKEOZGNLBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.C10H6N4/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;1-2-4-8-7(3-1)13-9-5-11-6-12-10(9)14-8/h1-8H;1-6H.
What are the key properties of benzo[g]pteridine;1,7-phenanthroline?
benzo[g]pteridine;1,7-phenanthroline has a molecular weight of 362.40 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[g]pteridine;1,7-phenanthroline is sourced from PubChem (CID 69047537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).