2,4-bis(1-benzothiophen-2-yl)-3-(4-chlorophenyl)-5-thiophen-2-ylfuran

C30H17ClOS3 — CID 155929966

IUPAC2,4-bis(1-benzothiophen-2-yl)-3-(4-chlorophenyl)-5-thiophen-2-ylfuran
SMILESClc1ccc(-c2c(-c3cc4ccccc4s3)oc(-c3cccs3)c2-c2cc3ccccc3s2)cc1
InChIInChI=1S/C30H17ClOS3/c31-21-13-11-18(12-14-21)27-28(25-16-19-6-1-3-8-22(19)34-25)29(24-10-5-15-33-24)32-30(27)26-17-20-7-2-4-9-23(20)35-26/h1-17H
InChIKeyOEQSTDKZGJZBAN-UHFFFAOYSA-N
MW525.12 g/mol
LogP11.09
Rot. Bonds4

About 2,4-bis(1-benzothiophen-2-yl)-3-(4-chlorophenyl)-5-thiophen-2-ylfuran

2,4-bis(1-benzothiophen-2-yl)-3-(4-chlorophenyl)-5-thiophen-2-ylfuran (PubChem CID 155929966) has the molecular formula C30H17ClOS3 and a molecular weight of 525.12 g/mol. Its IUPAC name is 2,4-bis(1-benzothiophen-2-yl)-3-(4-chlorophenyl)-5-thiophen-2-ylfuran.

Molecular Properties

Compound Name2,4-bis(1-benzothiophen-2-yl)-3-(4-chlorophenyl)-5-thiophen-2-ylfuran
PubChem CID155929966
Molecular FormulaC30H17ClOS3
Molecular Weight525.12 g/mol
Exact Mass524.01
IUPAC Name2,4-bis(1-benzothiophen-2-yl)-3-(4-chlorophenyl)-5-thiophen-2-ylfuran
SMILESClc1ccc(-c2c(-c3cc4ccccc4s3)oc(-c3cccs3)c2-c2cc3ccccc3s2)cc1
InChIInChI=1S/C30H17ClOS3/c31-21-13-11-18(12-14-21)27-28(25-16-19-6-1-3-8-22(19)34-25)29(24-10-5-15-33-24)32-30(27)26-17-20-7-2-4-9-23(20)35-26/h1-17H
InChIKeyOEQSTDKZGJZBAN-UHFFFAOYSA-N
XLogP11.09
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.12
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-benzothiophen-2-yl)-6-chloropyrimidine-2,4-diamine
CID 91186613
4-[bis(4-chlorophenyl)methyl]-2-phenyl-5-thiophen-2-yl-1,3-oxazole
CID 102264889
2-[13-(1-benzothiophen-2-yl)pentacen-6-yl]-1-benzothiophene
CID 86041165
2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one
CID 15515264
2-thiophen-2-ylthieno[2,3-f][1]benzothiole
CID 25213369
3-(4-chlorophenyl)-2-thiophen-2-ylthiophene
CID 172853479
5-(1-benzothiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525497
3-(4-chlorophenyl)thiochromen-2-one
CID 134101391
6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole
CID 170716706
4-[6-(4-chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol
CID 137175137
2-(2,6-dimethylphenyl)-1-benzothiophene
CID 641356
2-(1-benzothiophen-2-yl)benzene-1,3-diamine
CID 102202625

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(1-benzothiophen-2-yl)-3-(4-chlorophenyl)-5-thiophen-2-ylfuran?
The IUPAC name of 2,4-bis(1-benzothiophen-2-yl)-3-(4-chlorophenyl)-5-thiophen-2-ylfuran (CID 155929966) is 2,4-bis(1-benzothiophen-2-yl)-3-(4-chlorophenyl)-5-thiophen-2-ylfuran.
What is the SMILES notation for 2,4-bis(1-benzothiophen-2-yl)-3-(4-chlorophenyl)-5-thiophen-2-ylfuran?
The canonical SMILES for 2,4-bis(1-benzothiophen-2-yl)-3-(4-chlorophenyl)-5-thiophen-2-ylfuran is Clc1ccc(-c2c(-c3cc4ccccc4s3)oc(-c3cccs3)c2-c2cc3ccccc3s2)cc1.
What is the InChIKey of 2,4-bis(1-benzothiophen-2-yl)-3-(4-chlorophenyl)-5-thiophen-2-ylfuran?
The InChIKey is OEQSTDKZGJZBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17ClOS3/c31-21-13-11-18(12-14-21)27-28(25-16-19-6-1-3-8-22(19)34-25)29(24-10-5-15-33-24)32-30(27)26-17-20-7-2-4-9-23(20)35-26/h1-17H.
What are the key properties of 2,4-bis(1-benzothiophen-2-yl)-3-(4-chlorophenyl)-5-thiophen-2-ylfuran?
2,4-bis(1-benzothiophen-2-yl)-3-(4-chlorophenyl)-5-thiophen-2-ylfuran has a molecular weight of 525.12 g/mol, XLogP of 11.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(1-benzothiophen-2-yl)-3-(4-chlorophenyl)-5-thiophen-2-ylfuran is sourced from PubChem (CID 155929966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).