2,9-bis(4-methoxyphenyl)-10a,10b-dihydro-1,10-phenanthroline

C26H22N2O2 — CID 138967861

IUPAC2,9-bis(4-methoxyphenyl)-10a,10b-dihydro-1,10-phenanthroline
SMILESCOc1ccc(C2=NC3C(=CC=C4C=CC(c5ccc(OC)cc5)=NC43)C=C2)cc1
InChIInChI=1S/C26H22N2O2/c1-29-21-11-5-17(6-12-21)23-15-9-19-3-4-20-10-16-24(28-26(20)25(19)27-23)18-7-13-22(30-2)14-8-18/h3-16,25-26H,1-2H3
InChIKeyJJGNHKXZTLGGON-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.73
Rot. Bonds4

About 2,9-bis(4-methoxyphenyl)-10a,10b-dihydro-1,10-phenanthroline

2,9-bis(4-methoxyphenyl)-10a,10b-dihydro-1,10-phenanthroline (PubChem CID 138967861) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2,9-bis(4-methoxyphenyl)-10a,10b-dihydro-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-bis(4-methoxyphenyl)-10a,10b-dihydro-1,10-phenanthroline
PubChem CID138967861
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Name2,9-bis(4-methoxyphenyl)-10a,10b-dihydro-1,10-phenanthroline
SMILESCOc1ccc(C2=NC3C(=CC=C4C=CC(c5ccc(OC)cc5)=NC43)C=C2)cc1
InChIInChI=1S/C26H22N2O2/c1-29-21-11-5-17(6-12-21)23-15-9-19-3-4-20-10-16-24(28-26(20)25(19)27-23)18-7-13-22(30-2)14-8-18/h3-16,25-26H,1-2H3
InChIKeyJJGNHKXZTLGGON-UHFFFAOYSA-N
XLogP4.73
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,9-bis(4-methoxyphenyl)-10a,10b-dihydro-1,10-phenanthroline?
The IUPAC name of 2,9-bis(4-methoxyphenyl)-10a,10b-dihydro-1,10-phenanthroline (CID 138967861) is 2,9-bis(4-methoxyphenyl)-10a,10b-dihydro-1,10-phenanthroline.
What is the SMILES notation for 2,9-bis(4-methoxyphenyl)-10a,10b-dihydro-1,10-phenanthroline?
The canonical SMILES for 2,9-bis(4-methoxyphenyl)-10a,10b-dihydro-1,10-phenanthroline is COc1ccc(C2=NC3C(=CC=C4C=CC(c5ccc(OC)cc5)=NC43)C=C2)cc1.
What is the InChIKey of 2,9-bis(4-methoxyphenyl)-10a,10b-dihydro-1,10-phenanthroline?
The InChIKey is JJGNHKXZTLGGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2/c1-29-21-11-5-17(6-12-21)23-15-9-19-3-4-20-10-16-24(28-26(20)25(19)27-23)18-7-13-22(30-2)14-8-18/h3-16,25-26H,1-2H3.
What are the key properties of 2,9-bis(4-methoxyphenyl)-10a,10b-dihydro-1,10-phenanthroline?
2,9-bis(4-methoxyphenyl)-10a,10b-dihydro-1,10-phenanthroline has a molecular weight of 394.47 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(4-methoxyphenyl)-10a,10b-dihydro-1,10-phenanthroline is sourced from PubChem (CID 138967861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).