6,9-dimethyl-7H-pyrrolo[3,4-f][1,10]phenanthroline

C16H13N3 — CID 136819198

IUPAC6,9-dimethyl-7H-pyrrolo[3,4-f][1,10]phenanthroline
SMILESCc1ccc2c3cncc3c3ccc(C)[nH]c3c2n1
InChIInChI=1S/C16H13N3/c1-9-3-5-11-13-7-17-8-14(13)12-6-4-10(2)19-16(12)15(11)18-9/h3-8,18H,1-2H3
InChIKeyHKDJBIGGYMYRBA-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.88
Rot. Bonds

About 6,9-dimethyl-7H-pyrrolo[3,4-f][1,10]phenanthroline

6,9-dimethyl-7H-pyrrolo[3,4-f][1,10]phenanthroline (PubChem CID 136819198) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6,9-dimethyl-7H-pyrrolo[3,4-f][1,10]phenanthroline.

Molecular Properties

Compound Name6,9-dimethyl-7H-pyrrolo[3,4-f][1,10]phenanthroline
PubChem CID136819198
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name6,9-dimethyl-7H-pyrrolo[3,4-f][1,10]phenanthroline
SMILESCc1ccc2c3cncc3c3ccc(C)[nH]c3c2n1
InChIInChI=1S/C16H13N3/c1-9-3-5-11-13-7-17-8-14(13)12-6-4-10(2)19-16(12)15(11)18-9/h3-8,18H,1-2H3
InChIKeyHKDJBIGGYMYRBA-UHFFFAOYSA-N
XLogP3.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,9-dimethyl-7H-pyrrolo[3,4-f][1,10]phenanthroline?
The IUPAC name of 6,9-dimethyl-7H-pyrrolo[3,4-f][1,10]phenanthroline (CID 136819198) is 6,9-dimethyl-7H-pyrrolo[3,4-f][1,10]phenanthroline.
What is the SMILES notation for 6,9-dimethyl-7H-pyrrolo[3,4-f][1,10]phenanthroline?
The canonical SMILES for 6,9-dimethyl-7H-pyrrolo[3,4-f][1,10]phenanthroline is Cc1ccc2c3cncc3c3ccc(C)[nH]c3c2n1.
What is the InChIKey of 6,9-dimethyl-7H-pyrrolo[3,4-f][1,10]phenanthroline?
The InChIKey is HKDJBIGGYMYRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-9-3-5-11-13-7-17-8-14(13)12-6-4-10(2)19-16(12)15(11)18-9/h3-8,18H,1-2H3.
What are the key properties of 6,9-dimethyl-7H-pyrrolo[3,4-f][1,10]phenanthroline?
6,9-dimethyl-7H-pyrrolo[3,4-f][1,10]phenanthroline has a molecular weight of 247.30 g/mol, XLogP of 3.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dimethyl-7H-pyrrolo[3,4-f][1,10]phenanthroline is sourced from PubChem (CID 136819198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).