5,6-bis(2,5-dimethylthiophen-3-yl)-1,10-phenanthroline

C24H20N2S2 — CID 70867567

IUPAC5,6-bis(2,5-dimethylthiophen-3-yl)-1,10-phenanthroline
SMILESCc1cc(-c2c(-c3cc(C)sc3C)c3cccnc3c3ncccc23)c(C)s1
InChIInChI=1S/C24H20N2S2/c1-13-11-19(15(3)27-13)21-17-7-5-9-25-23(17)24-18(8-6-10-26-24)22(21)20-12-14(2)28-16(20)4/h5-12H,1-4H3
InChIKeyIKPWSVFNXYUDSX-UHFFFAOYSA-N
MW400.57 g/mol
LogP7.47
Rot. Bonds2

About 5,6-bis(2,5-dimethylthiophen-3-yl)-1,10-phenanthroline

5,6-bis(2,5-dimethylthiophen-3-yl)-1,10-phenanthroline (PubChem CID 70867567) has the molecular formula C24H20N2S2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 5,6-bis(2,5-dimethylthiophen-3-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name5,6-bis(2,5-dimethylthiophen-3-yl)-1,10-phenanthroline
PubChem CID70867567
Molecular FormulaC24H20N2S2
Molecular Weight400.57 g/mol
Exact Mass400.11
IUPAC Name5,6-bis(2,5-dimethylthiophen-3-yl)-1,10-phenanthroline
SMILESCc1cc(-c2c(-c3cc(C)sc3C)c3cccnc3c3ncccc23)c(C)s1
InChIInChI=1S/C24H20N2S2/c1-13-11-19(15(3)27-13)21-17-7-5-9-25-23(17)24-18(8-6-10-26-24)22(21)20-12-14(2)28-16(20)4/h5-12H,1-4H3
InChIKeyIKPWSVFNXYUDSX-UHFFFAOYSA-N
XLogP7.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 57.47
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

5-Methyl-1,10-phenanthroline
CID 72791
5,6-Dimethyl-1,10-phenanthroline
CID 76357
5-Phenyl-1,10-phenanthroline
CID 80258
5,7-Dimethyl-3-thiophen-3-yl-quinoline
CID 10060170
(R)-4-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2-(pyrazin-2-yl)thiazole
CID 11668827
6,7-Dimethyl-2-(thiophen-2-yl)quinoxaline
CID 677565
4-methyl-N-(5-thiophen-3-ylquinolin-8-yl)benzenesulfonamide
CID 118873482
11-Methyl-6-thiophen-2-ylindolizino[3,2-c]quinoline
CID 126483472
6-Thiophen-2-ylindolizino[3,2-c]quinoline
CID 145950787
2,3-Di-thiophen-2-yl-benzo[g]quinoxaline
CID 9950039
4-(1-benzothiophen-2-yl)-2-methyl-7-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline
CID 11552186
5-(5-Methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide
CID 169452176

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(2,5-dimethylthiophen-3-yl)-1,10-phenanthroline?
The IUPAC name of 5,6-bis(2,5-dimethylthiophen-3-yl)-1,10-phenanthroline (CID 70867567) is 5,6-bis(2,5-dimethylthiophen-3-yl)-1,10-phenanthroline.
What is the SMILES notation for 5,6-bis(2,5-dimethylthiophen-3-yl)-1,10-phenanthroline?
The canonical SMILES for 5,6-bis(2,5-dimethylthiophen-3-yl)-1,10-phenanthroline is Cc1cc(-c2c(-c3cc(C)sc3C)c3cccnc3c3ncccc23)c(C)s1.
What is the InChIKey of 5,6-bis(2,5-dimethylthiophen-3-yl)-1,10-phenanthroline?
The InChIKey is IKPWSVFNXYUDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2S2/c1-13-11-19(15(3)27-13)21-17-7-5-9-25-23(17)24-18(8-6-10-26-24)22(21)20-12-14(2)28-16(20)4/h5-12H,1-4H3.
What are the key properties of 5,6-bis(2,5-dimethylthiophen-3-yl)-1,10-phenanthroline?
5,6-bis(2,5-dimethylthiophen-3-yl)-1,10-phenanthroline has a molecular weight of 400.57 g/mol, XLogP of 7.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(2,5-dimethylthiophen-3-yl)-1,10-phenanthroline is sourced from PubChem (CID 70867567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).