10-methyl-11H-indeno[1,2-c][1,10]phenanthroline

C20H14N2 — CID 126501000

IUPAC10-methyl-11H-indeno[1,2-c][1,10]phenanthroline
SMILESCc1cccc2c1Cc1c-2cnc2c1ccc1cccnc12
InChIInChI=1S/C20H14N2/c1-12-4-2-6-14-16(12)10-17-15-8-7-13-5-3-9-21-19(13)20(15)22-11-18(14)17/h2-9,11H,10H2,1H3
InChIKeyJCEXHTNRHUCTHR-UHFFFAOYSA-N
MW282.35 g/mol
LogP4.66
Rot. Bonds

About 10-methyl-11H-indeno[1,2-c][1,10]phenanthroline

10-methyl-11H-indeno[1,2-c][1,10]phenanthroline (PubChem CID 126501000) has the molecular formula C20H14N2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 10-methyl-11H-indeno[1,2-c][1,10]phenanthroline.

Molecular Properties

Compound Name10-methyl-11H-indeno[1,2-c][1,10]phenanthroline
PubChem CID126501000
Molecular FormulaC20H14N2
Molecular Weight282.35 g/mol
Exact Mass282.12
IUPAC Name10-methyl-11H-indeno[1,2-c][1,10]phenanthroline
SMILESCc1cccc2c1Cc1c-2cnc2c1ccc1cccnc12
InChIInChI=1S/C20H14N2/c1-12-4-2-6-14-16(12)10-17-15-8-7-13-5-3-9-21-19(13)20(15)22-11-18(14)17/h2-9,11H,10H2,1H3
InChIKeyJCEXHTNRHUCTHR-UHFFFAOYSA-N
XLogP4.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 54.66
H-Bond Donors ≤ 50
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 10-methyl-11H-indeno[1,2-c][1,10]phenanthroline?
The IUPAC name of 10-methyl-11H-indeno[1,2-c][1,10]phenanthroline (CID 126501000) is 10-methyl-11H-indeno[1,2-c][1,10]phenanthroline.
What is the SMILES notation for 10-methyl-11H-indeno[1,2-c][1,10]phenanthroline?
The canonical SMILES for 10-methyl-11H-indeno[1,2-c][1,10]phenanthroline is Cc1cccc2c1Cc1c-2cnc2c1ccc1cccnc12.
What is the InChIKey of 10-methyl-11H-indeno[1,2-c][1,10]phenanthroline?
The InChIKey is JCEXHTNRHUCTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2/c1-12-4-2-6-14-16(12)10-17-15-8-7-13-5-3-9-21-19(13)20(15)22-11-18(14)17/h2-9,11H,10H2,1H3.
What are the key properties of 10-methyl-11H-indeno[1,2-c][1,10]phenanthroline?
10-methyl-11H-indeno[1,2-c][1,10]phenanthroline has a molecular weight of 282.35 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-11H-indeno[1,2-c][1,10]phenanthroline is sourced from PubChem (CID 126501000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).