3-phenyl-2,5-bis(3-phenylthiophen-2-yl)thiophene

C30H20S3 — CID 101018673

IUPAC3-phenyl-2,5-bis(3-phenylthiophen-2-yl)thiophene
SMILESc1ccc(-c2ccsc2-c2cc(-c3ccccc3)c(-c3sccc3-c3ccccc3)s2)cc1
InChIInChI=1S/C30H20S3/c1-4-10-21(11-5-1)24-16-18-31-28(24)27-20-26(23-14-8-3-9-15-23)30(33-27)29-25(17-19-32-29)22-12-6-2-7-13-22/h1-20H
InChIKeyOTXZOTMVMVGASB-UHFFFAOYSA-N
MW476.69 g/mol
LogP10.21
Rot. Bonds5

About 3-phenyl-2,5-bis(3-phenylthiophen-2-yl)thiophene

3-phenyl-2,5-bis(3-phenylthiophen-2-yl)thiophene (PubChem CID 101018673) has the molecular formula C30H20S3 and a molecular weight of 476.69 g/mol. Its IUPAC name is 3-phenyl-2,5-bis(3-phenylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name3-phenyl-2,5-bis(3-phenylthiophen-2-yl)thiophene
PubChem CID101018673
Molecular FormulaC30H20S3
Molecular Weight476.69 g/mol
Exact Mass476.07
IUPAC Name3-phenyl-2,5-bis(3-phenylthiophen-2-yl)thiophene
SMILESc1ccc(-c2ccsc2-c2cc(-c3ccccc3)c(-c3sccc3-c3ccccc3)s2)cc1
InChIInChI=1S/C30H20S3/c1-4-10-21(11-5-1)24-16-18-31-28(24)27-20-26(23-14-8-3-9-15-23)30(33-27)29-25(17-19-32-29)22-12-6-2-7-13-22/h1-20H
InChIKeyOTXZOTMVMVGASB-UHFFFAOYSA-N
XLogP10.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.69
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-5-(3-phenylthiophen-2-yl)-2-(4-phenylthiophen-2-yl)thiophene
CID 10695949
2-iodo-3-phenyl-5-(3-phenylthiophen-2-yl)thiophene
CID 139840485
3-phenyl-2-[4-(3-phenylthiophen-2-yl)phenyl]thiophene
CID 67533042
3-phenyl-2-(4-phenylphenyl)thiophene
CID 70178548
3-[3,5-bis(2-phenylthiophen-3-yl)phenyl]-2-phenylthiophene
CID 58130450
3-(4-phenylphenyl)-2-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 175170754
2-bromo-3-dodecyl-5-(3-phenylthiophen-2-yl)thiophene
CID 11027364
4,6-dichloro-2-(3-phenylthiophen-2-yl)pyrimidine
CID 151513214
4-[9-(4-aminophenyl)-14,19-diphenyl-3,10,13,20-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(17),2(6),4,7(11),8,12(16),14,18-octaen-4-yl]aniline
CID 140932080
5-(2-methoxyphenyl)-2,3-diphenylthiophene
CID 54166274
3-(4-chlorophenyl)-2-thiophen-2-ylthiophene
CID 172853479
3-methyl-2-(3-methylthiophen-2-yl)-5-[3-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene
CID 132568835

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2,5-bis(3-phenylthiophen-2-yl)thiophene?
The IUPAC name of 3-phenyl-2,5-bis(3-phenylthiophen-2-yl)thiophene (CID 101018673) is 3-phenyl-2,5-bis(3-phenylthiophen-2-yl)thiophene.
What is the SMILES notation for 3-phenyl-2,5-bis(3-phenylthiophen-2-yl)thiophene?
The canonical SMILES for 3-phenyl-2,5-bis(3-phenylthiophen-2-yl)thiophene is c1ccc(-c2ccsc2-c2cc(-c3ccccc3)c(-c3sccc3-c3ccccc3)s2)cc1.
What is the InChIKey of 3-phenyl-2,5-bis(3-phenylthiophen-2-yl)thiophene?
The InChIKey is OTXZOTMVMVGASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20S3/c1-4-10-21(11-5-1)24-16-18-31-28(24)27-20-26(23-14-8-3-9-15-23)30(33-27)29-25(17-19-32-29)22-12-6-2-7-13-22/h1-20H.
What are the key properties of 3-phenyl-2,5-bis(3-phenylthiophen-2-yl)thiophene?
3-phenyl-2,5-bis(3-phenylthiophen-2-yl)thiophene has a molecular weight of 476.69 g/mol, XLogP of 10.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2,5-bis(3-phenylthiophen-2-yl)thiophene is sourced from PubChem (CID 101018673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).