2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene

C28H18S2 — CID 15625929

IUPAC2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
SMILESc1ccc(-c2sc3ccccc3c2-c2c(-c3ccccc3)sc3ccccc23)cc1
InChIInChI=1S/C28H18S2/c1-3-11-19(12-4-1)27-25(21-15-7-9-17-23(21)29-27)26-22-16-8-10-18-24(22)30-28(26)20-13-5-2-6-14-20/h1-18H
InChIKeyKKTFNAQPOGNYPG-UHFFFAOYSA-N
MW418.59 g/mol
LogP9.12
Rot. Bonds3

About 2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene

2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene (PubChem CID 15625929) has the molecular formula C28H18S2 and a molecular weight of 418.59 g/mol. Its IUPAC name is 2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene.

Molecular Properties

Compound Name2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
PubChem CID15625929
Molecular FormulaC28H18S2
Molecular Weight418.59 g/mol
Exact Mass418.08
IUPAC Name2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
SMILESc1ccc(-c2sc3ccccc3c2-c2c(-c3ccccc3)sc3ccccc23)cc1
InChIInChI=1S/C28H18S2/c1-3-11-19(12-4-1)27-25(21-15-7-9-17-23(21)29-27)26-22-16-8-10-18-24(22)30-28(26)20-13-5-2-6-14-20/h1-18H
InChIKeyKKTFNAQPOGNYPG-UHFFFAOYSA-N
XLogP9.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.59
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzofuran
CID 156552692
3-methylsulfanyl-2-phenyl-1-benzothiophene
CID 15572646
2-phenyl-3-[(2-phenyl-1-benzothiophen-3-yl)sulfonyl]-1-benzothiophene
CID 170560290
3-fluoro-2-phenylthiochromen-4-one
CID 11097189
2-(3-phenyl-1-benzothiophen-2-yl)-9H-carbazole
CID 142748705
N-ethyl-N-methyl-2-phenyl-1-benzothiophen-3-amine
CID 21315894
10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione
CID 10615659
3-phenyl-2-phenylsulfanyl-1-benzothiophene
CID 12687303
3,7-diphenyl-2,6-bis(4-phenylphenyl)thieno[2,3-f][1]benzothiole
CID 126653606
5-chloro-2,3-diphenyl-1-benzothiophene
CID 13027063
5-bromo-2,3-diphenyl-1-benzothiophene
CID 13027064
6-methyl-2,3-diphenyl-1-benzothiophene
CID 13027057

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene?
The IUPAC name of 2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene (CID 15625929) is 2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene.
What is the SMILES notation for 2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene?
The canonical SMILES for 2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene is c1ccc(-c2sc3ccccc3c2-c2c(-c3ccccc3)sc3ccccc23)cc1.
What is the InChIKey of 2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene?
The InChIKey is KKTFNAQPOGNYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18S2/c1-3-11-19(12-4-1)27-25(21-15-7-9-17-23(21)29-27)26-22-16-8-10-18-24(22)30-28(26)20-13-5-2-6-14-20/h1-18H.
What are the key properties of 2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene?
2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene has a molecular weight of 418.59 g/mol, XLogP of 9.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene is sourced from PubChem (CID 15625929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).