4,7-bis(phenylmethoxy)-1,10-phenanthroline

C26H20N2O2 — CID 23134911

IUPAC4,7-bis(phenylmethoxy)-1,10-phenanthroline
SMILESc1ccc(COc2ccnc3c2ccc2c(OCc4ccccc4)ccnc23)cc1
InChIInChI=1S/C26H20N2O2/c1-3-7-19(8-4-1)17-29-23-13-15-27-25-21(23)11-12-22-24(14-16-28-26(22)25)30-18-20-9-5-2-6-10-20/h1-16H,17-18H2
InChIKeyKPVDKQRFAYKASN-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.94
Rot. Bonds6

About 4,7-bis(phenylmethoxy)-1,10-phenanthroline

4,7-bis(phenylmethoxy)-1,10-phenanthroline (PubChem CID 23134911) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4,7-bis(phenylmethoxy)-1,10-phenanthroline.

Molecular Properties

Compound Name4,7-bis(phenylmethoxy)-1,10-phenanthroline
PubChem CID23134911
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name4,7-bis(phenylmethoxy)-1,10-phenanthroline
SMILESc1ccc(COc2ccnc3c2ccc2c(OCc4ccccc4)ccnc23)cc1
InChIInChI=1S/C26H20N2O2/c1-3-7-19(8-4-1)17-29-23-13-15-27-25-21(23)11-12-22-24(14-16-28-26(22)25)30-18-20-9-5-2-6-10-20/h1-16H,17-18H2
InChIKeyKPVDKQRFAYKASN-UHFFFAOYSA-N
XLogP5.94
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.94
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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Related Compounds

4-phenylmethoxyquinoline
CID 11299312
[3,4-bis(phenylmethoxy)-2-pyridinyl]methanol
CID 11324699
6-bromo-8-methoxy-4-phenylmethoxyquinoline
CID 178032922
3,4-bis(phenylmethoxy)pyridine-2-carbaldehyde
CID 23245667
6-fluoro-4-phenylmethoxyquinoline
CID 164587586
3-iodo-2,4-bis(phenylmethoxy)pyridine
CID 166168867
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde
CID 171137827
5-phenyl-8-phenylmethoxyquinoline
CID 11809105
5,8-bis(phenylmethoxy)naphthalen-2-ol
CID 139679004
8-fluoro-4-[(4-propylphenyl)methoxy]quinoline
CID 57111282
5-phenylmethoxynaphthalen-2-amine
CID 129054622

Frequently Asked Questions

What is the IUPAC name of 4,7-bis(phenylmethoxy)-1,10-phenanthroline?
The IUPAC name of 4,7-bis(phenylmethoxy)-1,10-phenanthroline (CID 23134911) is 4,7-bis(phenylmethoxy)-1,10-phenanthroline.
What is the SMILES notation for 4,7-bis(phenylmethoxy)-1,10-phenanthroline?
The canonical SMILES for 4,7-bis(phenylmethoxy)-1,10-phenanthroline is c1ccc(COc2ccnc3c2ccc2c(OCc4ccccc4)ccnc23)cc1.
What is the InChIKey of 4,7-bis(phenylmethoxy)-1,10-phenanthroline?
The InChIKey is KPVDKQRFAYKASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-3-7-19(8-4-1)17-29-23-13-15-27-25-21(23)11-12-22-24(14-16-28-26(22)25)30-18-20-9-5-2-6-10-20/h1-16H,17-18H2.
What are the key properties of 4,7-bis(phenylmethoxy)-1,10-phenanthroline?
4,7-bis(phenylmethoxy)-1,10-phenanthroline has a molecular weight of 392.46 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(phenylmethoxy)-1,10-phenanthroline is sourced from PubChem (CID 23134911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).