2-[2,6-bis(phenylsulfanyl)phenoxy]-1,10-phenanthroline

C30H20N2OS2 — CID 166442974

IUPAC2-[2,6-bis(phenylsulfanyl)phenoxy]-1,10-phenanthroline
SMILESc1ccc(Sc2cccc(Sc3ccccc3)c2Oc2ccc3ccc4cccnc4c3n2)cc1
InChIInChI=1S/C30H20N2OS2/c1-3-10-23(11-4-1)34-25-14-7-15-26(35-24-12-5-2-6-13-24)30(25)33-27-19-18-22-17-16-21-9-8-20-31-28(21)29(22)32-27/h1-20H
InChIKeyLIZBSAXCEFGQHF-UHFFFAOYSA-N
MW488.64 g/mol
LogP8.88
Rot. Bonds6

About 2-[2,6-bis(phenylsulfanyl)phenoxy]-1,10-phenanthroline

2-[2,6-bis(phenylsulfanyl)phenoxy]-1,10-phenanthroline (PubChem CID 166442974) has the molecular formula C30H20N2OS2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 2-[2,6-bis(phenylsulfanyl)phenoxy]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[2,6-bis(phenylsulfanyl)phenoxy]-1,10-phenanthroline
PubChem CID166442974
Molecular FormulaC30H20N2OS2
Molecular Weight488.64 g/mol
Exact Mass488.10
IUPAC Name2-[2,6-bis(phenylsulfanyl)phenoxy]-1,10-phenanthroline
SMILESc1ccc(Sc2cccc(Sc3ccccc3)c2Oc2ccc3ccc4cccnc4c3n2)cc1
InChIInChI=1S/C30H20N2OS2/c1-3-10-23(11-4-1)34-25-14-7-15-26(35-24-12-5-2-6-13-24)30(25)33-27-19-18-22-17-16-21-9-8-20-31-28(21)29(22)32-27/h1-20H
InChIKeyLIZBSAXCEFGQHF-UHFFFAOYSA-N
XLogP8.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.64
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2,6-bis(phenylsulfanyl)phenoxy]-1,10-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethoxy-1,10-phenanthroline
CID 355195
1,10-Phenanthroline, 4,7-diphenoxy-
CID 23423818
2-Oxa-13-thia-10,16-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 15643039
4,7-Bis(4-methoxyphenyl)-1,10-phenanthroline
CID 57356965
2-(p-Anisyl)-1,10-phenanthroline
CID 101566236
2-Phenoxy-1,10-phenanthroline
CID 158854039
2-[2'-Quinoxalinyl]-phenoxathiin
CID 403358
2,9-Bis(4-pyridylmethoxy)-1,10-phenanthroline
CID 91438612
2-(2-Methylphenoxy)-1,10-phenanthroline
CID 166438332
2-Naphthalen-1-yloxy-1,10-phenanthroline
CID 166438437
2-(1,10-phenanthrolin-2-yloxy)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 166442527
3-methyl-2-(1,10-phenanthrolin-2-yloxy)-N,N-diphenylaniline
CID 166442528

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(phenylsulfanyl)phenoxy]-1,10-phenanthroline?
The IUPAC name of 2-[2,6-bis(phenylsulfanyl)phenoxy]-1,10-phenanthroline (CID 166442974) is 2-[2,6-bis(phenylsulfanyl)phenoxy]-1,10-phenanthroline.
What is the SMILES notation for 2-[2,6-bis(phenylsulfanyl)phenoxy]-1,10-phenanthroline?
The canonical SMILES for 2-[2,6-bis(phenylsulfanyl)phenoxy]-1,10-phenanthroline is c1ccc(Sc2cccc(Sc3ccccc3)c2Oc2ccc3ccc4cccnc4c3n2)cc1.
What is the InChIKey of 2-[2,6-bis(phenylsulfanyl)phenoxy]-1,10-phenanthroline?
The InChIKey is LIZBSAXCEFGQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2OS2/c1-3-10-23(11-4-1)34-25-14-7-15-26(35-24-12-5-2-6-13-24)30(25)33-27-19-18-22-17-16-21-9-8-20-31-28(21)29(22)32-27/h1-20H.
What are the key properties of 2-[2,6-bis(phenylsulfanyl)phenoxy]-1,10-phenanthroline?
2-[2,6-bis(phenylsulfanyl)phenoxy]-1,10-phenanthroline has a molecular weight of 488.64 g/mol, XLogP of 8.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(phenylsulfanyl)phenoxy]-1,10-phenanthroline is sourced from PubChem (CID 166442974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).