11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine

C27H19N3O — CID 142562406

IUPAC11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine
SMILESCc1ccc(Oc2ccc3c4ccccc4n4ccnc4c3c2)cc1-c1ccccn1
InChIInChI=1S/C27H19N3O/c1-18-9-10-19(16-23(18)25-7-4-5-13-28-25)31-20-11-12-21-22-6-2-3-8-26(22)30-15-14-29-27(30)24(21)17-20/h2-17H,1H3
InChIKeyUYCRLZRCYCYAJY-UHFFFAOYSA-N
MW401.47 g/mol
LogP6.80
Rot. Bonds3

About 11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine

11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine (PubChem CID 142562406) has the molecular formula C27H19N3O and a molecular weight of 401.47 g/mol. Its IUPAC name is 11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine
PubChem CID142562406
Molecular FormulaC27H19N3O
Molecular Weight401.47 g/mol
Exact Mass401.15
IUPAC Name11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine
SMILESCc1ccc(Oc2ccc3c4ccccc4n4ccnc4c3c2)cc1-c1ccccn1
InChIInChI=1S/C27H19N3O/c1-18-9-10-19(16-23(18)25-7-4-5-13-28-25)31-20-11-12-21-22-6-2-3-8-26(22)30-15-14-29-27(30)24(21)17-20/h2-17H,1H3
InChIKeyUYCRLZRCYCYAJY-UHFFFAOYSA-N
XLogP6.80
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine?
The IUPAC name of 11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine (CID 142562406) is 11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine.
What is the SMILES notation for 11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine?
The canonical SMILES for 11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine is Cc1ccc(Oc2ccc3c4ccccc4n4ccnc4c3c2)cc1-c1ccccn1.
What is the InChIKey of 11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine?
The InChIKey is UYCRLZRCYCYAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O/c1-18-9-10-19(16-23(18)25-7-4-5-13-28-25)31-20-11-12-21-22-6-2-3-8-26(22)30-15-14-29-27(30)24(21)17-20/h2-17H,1H3.
What are the key properties of 11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine?
11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine has a molecular weight of 401.47 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 142562406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).