2-(4-methoxyphenyl)-5-[10-[5-(4-methoxyphenyl)thiophen-2-yl]anthracen-9-yl]thiophene

C36H26O2S2 — CID 151477310

IUPAC2-(4-methoxyphenyl)-5-[10-[5-(4-methoxyphenyl)thiophen-2-yl]anthracen-9-yl]thiophene
SMILESCOc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(OC)cc5)s4)c4ccccc34)s2)cc1
InChIInChI=1S/C36H26O2S2/c1-37-25-15-11-23(12-16-25)31-19-21-33(39-31)35-27-7-3-5-9-29(27)36(30-10-6-4-8-28(30)35)34-22-20-32(40-34)24-13-17-26(38-2)18-14-24/h3-22H,1-2H3
InChIKeyPLSMBFYBJXRWKU-UHFFFAOYSA-N
MW554.74 g/mol
LogP10.80
Rot. Bonds6

About 2-(4-methoxyphenyl)-5-[10-[5-(4-methoxyphenyl)thiophen-2-yl]anthracen-9-yl]thiophene

2-(4-methoxyphenyl)-5-[10-[5-(4-methoxyphenyl)thiophen-2-yl]anthracen-9-yl]thiophene (PubChem CID 151477310) has the molecular formula C36H26O2S2 and a molecular weight of 554.74 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[10-[5-(4-methoxyphenyl)thiophen-2-yl]anthracen-9-yl]thiophene.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[10-[5-(4-methoxyphenyl)thiophen-2-yl]anthracen-9-yl]thiophene
PubChem CID151477310
Molecular FormulaC36H26O2S2
Molecular Weight554.74 g/mol
Exact Mass554.14
IUPAC Name2-(4-methoxyphenyl)-5-[10-[5-(4-methoxyphenyl)thiophen-2-yl]anthracen-9-yl]thiophene
SMILESCOc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(OC)cc5)s4)c4ccccc34)s2)cc1
InChIInChI=1S/C36H26O2S2/c1-37-25-15-11-23(12-16-25)31-19-21-33(39-31)35-27-7-3-5-9-29(27)36(30-10-6-4-8-28(30)35)34-22-20-32(40-34)24-13-17-26(38-2)18-14-24/h3-22H,1-2H3
InChIKeyPLSMBFYBJXRWKU-UHFFFAOYSA-N
XLogP10.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.74
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334
2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene
CID 132513911
2-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine
CID 59693441
5-(4-methoxyphenyl)-3-[10-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]phenanthren-9-yl]-2-methylthiophene
CID 102083532
1,3-bis(4-methoxyphenyl)-2-benzothiophene
CID 14668872
2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene
CID 46181810
2-ethyl-5-(4-methoxyphenyl)thiophene
CID 21064460
2,5-bis[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]thiophene
CID 102235498
9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene
CID 11523963
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
5-(4-methoxyphenyl)-N-methylthiophen-2-amine
CID 82073086
[5-(4-methoxyphenyl)thiophen-2-yl]-trimethylsilane
CID 135013894

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[10-[5-(4-methoxyphenyl)thiophen-2-yl]anthracen-9-yl]thiophene?
The IUPAC name of 2-(4-methoxyphenyl)-5-[10-[5-(4-methoxyphenyl)thiophen-2-yl]anthracen-9-yl]thiophene (CID 151477310) is 2-(4-methoxyphenyl)-5-[10-[5-(4-methoxyphenyl)thiophen-2-yl]anthracen-9-yl]thiophene.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[10-[5-(4-methoxyphenyl)thiophen-2-yl]anthracen-9-yl]thiophene?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[10-[5-(4-methoxyphenyl)thiophen-2-yl]anthracen-9-yl]thiophene is COc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(OC)cc5)s4)c4ccccc34)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[10-[5-(4-methoxyphenyl)thiophen-2-yl]anthracen-9-yl]thiophene?
The InChIKey is PLSMBFYBJXRWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26O2S2/c1-37-25-15-11-23(12-16-25)31-19-21-33(39-31)35-27-7-3-5-9-29(27)36(30-10-6-4-8-28(30)35)34-22-20-32(40-34)24-13-17-26(38-2)18-14-24/h3-22H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[10-[5-(4-methoxyphenyl)thiophen-2-yl]anthracen-9-yl]thiophene?
2-(4-methoxyphenyl)-5-[10-[5-(4-methoxyphenyl)thiophen-2-yl]anthracen-9-yl]thiophene has a molecular weight of 554.74 g/mol, XLogP of 10.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[10-[5-(4-methoxyphenyl)thiophen-2-yl]anthracen-9-yl]thiophene is sourced from PubChem (CID 151477310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).