2-(10-thiophen-2-ylphenanthren-9-yl)thiophene

C22H14S2 — CID 10497515

IUPAC2-(10-thiophen-2-ylphenanthren-9-yl)thiophene
SMILESc1csc(-c2c(-c3cccs3)c3ccccc3c3ccccc23)c1
InChIInChI=1S/C22H14S2/c1-3-9-17-15(7-1)16-8-2-4-10-18(16)22(20-12-6-14-24-20)21(17)19-11-5-13-23-19/h1-14H
InChIKeyRPGGGAGOPZETFW-UHFFFAOYSA-N
MW342.49 g/mol
LogP7.45
Rot. Bonds2

About 2-(10-thiophen-2-ylphenanthren-9-yl)thiophene

2-(10-thiophen-2-ylphenanthren-9-yl)thiophene (PubChem CID 10497515) has the molecular formula C22H14S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-(10-thiophen-2-ylphenanthren-9-yl)thiophene.

Molecular Properties

Compound Name2-(10-thiophen-2-ylphenanthren-9-yl)thiophene
PubChem CID10497515
Molecular FormulaC22H14S2
Molecular Weight342.49 g/mol
Exact Mass342.05
IUPAC Name2-(10-thiophen-2-ylphenanthren-9-yl)thiophene
SMILESc1csc(-c2c(-c3cccs3)c3ccccc3c3ccccc23)c1
InChIInChI=1S/C22H14S2/c1-3-9-17-15(7-1)16-8-2-4-10-18(16)22(20-12-6-14-24-20)21(17)19-11-5-13-23-19/h1-14H
InChIKeyRPGGGAGOPZETFW-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(10-thiophen-2-ylphenanthren-9-yl)thiophene?
The IUPAC name of 2-(10-thiophen-2-ylphenanthren-9-yl)thiophene (CID 10497515) is 2-(10-thiophen-2-ylphenanthren-9-yl)thiophene.
What is the SMILES notation for 2-(10-thiophen-2-ylphenanthren-9-yl)thiophene?
The canonical SMILES for 2-(10-thiophen-2-ylphenanthren-9-yl)thiophene is c1csc(-c2c(-c3cccs3)c3ccccc3c3ccccc23)c1.
What is the InChIKey of 2-(10-thiophen-2-ylphenanthren-9-yl)thiophene?
The InChIKey is RPGGGAGOPZETFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14S2/c1-3-9-17-15(7-1)16-8-2-4-10-18(16)22(20-12-6-14-24-20)21(17)19-11-5-13-23-19/h1-14H.
What are the key properties of 2-(10-thiophen-2-ylphenanthren-9-yl)thiophene?
2-(10-thiophen-2-ylphenanthren-9-yl)thiophene has a molecular weight of 342.49 g/mol, XLogP of 7.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-thiophen-2-ylphenanthren-9-yl)thiophene is sourced from PubChem (CID 10497515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).