2-methylpyrrolo[3,4-f][2,7]phenanthroline

C15H11N3 — CID 140950302

IUPAC2-methylpyrrolo[3,4-f][2,7]phenanthroline
SMILESCn1cc2c3ccncc3c3cccnc3c2c1
InChIInChI=1S/C15H11N3/c1-18-8-13-10-4-6-16-7-12(10)11-3-2-5-17-15(11)14(13)9-18/h2-9H,1H3
InChIKeyGJEHWCNZNAVWNR-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.27
Rot. Bonds

About 2-methylpyrrolo[3,4-f][2,7]phenanthroline

2-methylpyrrolo[3,4-f][2,7]phenanthroline (PubChem CID 140950302) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-methylpyrrolo[3,4-f][2,7]phenanthroline.

Molecular Properties

Compound Name2-methylpyrrolo[3,4-f][2,7]phenanthroline
PubChem CID140950302
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name2-methylpyrrolo[3,4-f][2,7]phenanthroline
SMILESCn1cc2c3ccncc3c3cccnc3c2c1
InChIInChI=1S/C15H11N3/c1-18-8-13-10-4-6-16-7-12(10)11-3-2-5-17-15(11)14(13)9-18/h2-9H,1H3
InChIKeyGJEHWCNZNAVWNR-UHFFFAOYSA-N
XLogP3.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methylpyrrolo[2,3-f][3,7]phenanthroline
CID 140949061
benzo[f][1,7]phenanthroline;bis(benzo[f][1,8]phenanthroline);benzo[f][1,9]phenanthroline;benzo[f][3,8]phenanthroline;ethane;phenanthro[9,10-b]pyrazine;phenanthro[9,10-d]pyrimidine
CID 159905884
17-methyl-17,21-diazahexacyclo[12.11.0.03,12.05,10.015,19.020,25]pentacosa-1,3,5,7,9,11,13,15,18,20(25),21,23-dodecaene
CID 140948896
1,8-phenanthroline-5,6-diamine
CID 102119892
23-methyl-19,23-diazahexacyclo[12.11.0.03,12.04,9.015,20.021,25]pentacosa-1(14),2,4,6,8,10,12,15(20),16,18,21,24-dodecaene
CID 140948898
CID 159892394
CID 159892394
5,9,15,17,22-pentazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),3,5,8(13),9,11,14,16(21),17,19-undecaene
CID 168875580
4-methyl-2,3,8,15-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 140950203
4-methyl-2,3,8,16-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 140948940
4-oxa-8-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2,5,7(12),8,10,13,15-octaene
CID 58262111
6-tetraphenylen-1-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-1-ylphenanthro[9,10-c]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-c]pyridine;11-tetraphenylen-1-ylphenanthro[9,10-c]pyridine
CID 161161977
CID 159801748
CID 159801748

Frequently Asked Questions

What is the IUPAC name of 2-methylpyrrolo[3,4-f][2,7]phenanthroline?
The IUPAC name of 2-methylpyrrolo[3,4-f][2,7]phenanthroline (CID 140950302) is 2-methylpyrrolo[3,4-f][2,7]phenanthroline.
What is the SMILES notation for 2-methylpyrrolo[3,4-f][2,7]phenanthroline?
The canonical SMILES for 2-methylpyrrolo[3,4-f][2,7]phenanthroline is Cn1cc2c3ccncc3c3cccnc3c2c1.
What is the InChIKey of 2-methylpyrrolo[3,4-f][2,7]phenanthroline?
The InChIKey is GJEHWCNZNAVWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c1-18-8-13-10-4-6-16-7-12(10)11-3-2-5-17-15(11)14(13)9-18/h2-9H,1H3.
What are the key properties of 2-methylpyrrolo[3,4-f][2,7]phenanthroline?
2-methylpyrrolo[3,4-f][2,7]phenanthroline has a molecular weight of 233.27 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrrolo[3,4-f][2,7]phenanthroline is sourced from PubChem (CID 140950302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).