1-benzofuran;5-phenyl-1-benzofuran;4-phenyl-1-benzothiophene;5-phenyl-1-benzothiophene;6-phenyl-1-benzothiophene;4-phenyl-6-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene

C103H86O2S6 — CID 167681265

IUPAC1-benzofuran;5-phenyl-1-benzofuran;4-phenyl-1-benzothiophene;5-phenyl-1-benzothiophene;6-phenyl-1-benzothiophene;4-phenyl-6-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene
SMILESCC(C)c1cc(-c2ccccc2)c2ccsc2c1.CC(C)c1ccc2ccsc2c1.CC(C)c1ccc2sccc2c1.c1ccc(-c2ccc3ccsc3c2)cc1.c1ccc(-c2ccc3occc3c2)cc1.c1ccc(-c2ccc3sccc3c2)cc1.c1ccc(-c2cccc3sccc23)cc1.c1ccc2occc2c1
InChIInChI=1S/C17H16S.C14H10O.3C14H10S.2C11H12S.C8H6O/c1-12(2)14-10-16(13-6-4-3-5-7-13)15-8-9-18-17(15)11-14;1-2-4-11(5-3-1)12-6-7-14-13(10-12)8-9-15-14;1-2-5-11(6-3-1)12-7-4-8-14-13(12)9-10-15-14;1-2-4-11(5-3-1)12-6-7-14-13(10-12)8-9-15-14;1-2-4-11(5-3-1)13-7-6-12-8-9-15-14(12)10-13;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-2-4-8-7(3-1)5-6-9-8/h3-12H,1-2H3;4*1-10H;2*3-8H,1-2H3;1-6H
InChIKeyVORDQWWRBMGDKW-UHFFFAOYSA-N
MW1548.22 g/mol
LogP33.98
Rot. Bonds8

About 1-benzofuran;5-phenyl-1-benzofuran;4-phenyl-1-benzothiophene;5-phenyl-1-benzothiophene;6-phenyl-1-benzothiophene;4-phenyl-6-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene

1-benzofuran;5-phenyl-1-benzofuran;4-phenyl-1-benzothiophene;5-phenyl-1-benzothiophene;6-phenyl-1-benzothiophene;4-phenyl-6-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene (PubChem CID 167681265) has the molecular formula C103H86O2S6 and a molecular weight of 1548.22 g/mol. Its IUPAC name is 1-benzofuran;5-phenyl-1-benzofuran;4-phenyl-1-benzothiophene;5-phenyl-1-benzothiophene;6-phenyl-1-benzothiophene;4-phenyl-6-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene.

Molecular Properties

Compound Name1-benzofuran;5-phenyl-1-benzofuran;4-phenyl-1-benzothiophene;5-phenyl-1-benzothiophene;6-phenyl-1-benzothiophene;4-phenyl-6-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene
PubChem CID167681265
Molecular FormulaC103H86O2S6
Molecular Weight1548.22 g/mol
Exact Mass1546.50
IUPAC Name1-benzofuran;5-phenyl-1-benzofuran;4-phenyl-1-benzothiophene;5-phenyl-1-benzothiophene;6-phenyl-1-benzothiophene;4-phenyl-6-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene
SMILESCC(C)c1cc(-c2ccccc2)c2ccsc2c1.CC(C)c1ccc2ccsc2c1.CC(C)c1ccc2sccc2c1.c1ccc(-c2ccc3ccsc3c2)cc1.c1ccc(-c2ccc3occc3c2)cc1.c1ccc(-c2ccc3sccc3c2)cc1.c1ccc(-c2cccc3sccc23)cc1.c1ccc2occc2c1
InChIInChI=1S/C17H16S.C14H10O.3C14H10S.2C11H12S.C8H6O/c1-12(2)14-10-16(13-6-4-3-5-7-13)15-8-9-18-17(15)11-14;1-2-4-11(5-3-1)12-6-7-14-13(10-12)8-9-15-14;1-2-5-11(6-3-1)12-7-4-8-14-13(12)9-10-15-14;1-2-4-11(5-3-1)12-6-7-14-13(10-12)8-9-15-14;1-2-4-11(5-3-1)13-7-6-12-8-9-15-14(12)10-13;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-2-4-8-7(3-1)5-6-9-8/h3-12H,1-2H3;4*1-10H;2*3-8H,1-2H3;1-6H
InChIKeyVORDQWWRBMGDKW-UHFFFAOYSA-N
XLogP33.98
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001548.22
LogP ≤ 533.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-benzofuran;5-phenyl-1-benzofuran;4-phenyl-1-benzothiophene;5-phenyl-1-benzothiophene;6-phenyl-1-benzothiophene;4-phenyl-6-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-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-benzofuran;1-benzothiophene;2H-isoindole
CID 161318272
1-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)naphthalene;2-naphthalen-2-yl-7-(7-naphthalen-2-ylnaphthalen-2-yl)naphthalene;1-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(3-naphthalen-1-ylphenyl)naphthalene;2-naphthalen-2-yl-6-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]naphthalene;2-naphthalen-2-yl-7-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]naphthalene;1-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)naphthalene;2-propan-2-yl-6-[4-[4-(6-propan-2-ylnaphthalen-2-yl)phenyl]phenyl]naphthalene
CID 161256989
N-[6-(1-benzofuran-5-yl)-9,9-diphenylfluoren-3-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-5-amine
CID 177098730
1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene
CID 157179117
1-benzofuran;1-benzothiophene;1H-indole;methane
CID 159295351
5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzothiole
CID 176745123
benzo[e][1]benzothiole;benzo[f][1]benzothiole;bis(benzo[g][1]benzothiole);1-benzothiophene;bis(dibenzothiophene);4,6-diphenyldibenzothiophene;ethane;naphtho[1,2-b][1]benzothiole;12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 158948770
6-naphthalen-2-yl-3-propan-2-yldibenzofuran
CID 164821911
5-propan-2-yl-1-benzothiophene;5-propan-2-yl-6,7-dihydro-1-benzofuran
CID 177178329
N-[3-[4-(1-benzothiophen-5-yl)naphthalen-1-yl]phenyl]-2-phenylaniline
CID 170181051
2-(4-dibenzothiophen-3-ylphenyl)-4-(5-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172509468
4-phenyl-6-[4-(4-propan-2-ylphenyl)phenyl]dibenzofuran
CID 67964041

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;5-phenyl-1-benzofuran;4-phenyl-1-benzothiophene;5-phenyl-1-benzothiophene;6-phenyl-1-benzothiophene;4-phenyl-6-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene?
The IUPAC name of 1-benzofuran;5-phenyl-1-benzofuran;4-phenyl-1-benzothiophene;5-phenyl-1-benzothiophene;6-phenyl-1-benzothiophene;4-phenyl-6-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene (CID 167681265) is 1-benzofuran;5-phenyl-1-benzofuran;4-phenyl-1-benzothiophene;5-phenyl-1-benzothiophene;6-phenyl-1-benzothiophene;4-phenyl-6-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene.
What is the SMILES notation for 1-benzofuran;5-phenyl-1-benzofuran;4-phenyl-1-benzothiophene;5-phenyl-1-benzothiophene;6-phenyl-1-benzothiophene;4-phenyl-6-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene?
The canonical SMILES for 1-benzofuran;5-phenyl-1-benzofuran;4-phenyl-1-benzothiophene;5-phenyl-1-benzothiophene;6-phenyl-1-benzothiophene;4-phenyl-6-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene is CC(C)c1cc(-c2ccccc2)c2ccsc2c1.CC(C)c1ccc2ccsc2c1.CC(C)c1ccc2sccc2c1.c1ccc(-c2ccc3ccsc3c2)cc1.c1ccc(-c2ccc3occc3c2)cc1.c1ccc(-c2ccc3sccc3c2)cc1.c1ccc(-c2cccc3sccc23)cc1.c1ccc2occc2c1.
What is the InChIKey of 1-benzofuran;5-phenyl-1-benzofuran;4-phenyl-1-benzothiophene;5-phenyl-1-benzothiophene;6-phenyl-1-benzothiophene;4-phenyl-6-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene?
The InChIKey is VORDQWWRBMGDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16S.C14H10O.3C14H10S.2C11H12S.C8H6O/c1-12(2)14-10-16(13-6-4-3-5-7-13)15-8-9-18-17(15)11-14;1-2-4-11(5-3-1)12-6-7-14-13(10-12)8-9-15-14;1-2-5-11(6-3-1)12-7-4-8-14-13(12)9-10-15-14;1-2-4-11(5-3-1)12-6-7-14-13(10-12)8-9-15-14;1-2-4-11(5-3-1)13-7-6-12-8-9-15-14(12)10-13;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-2-4-8-7(3-1)5-6-9-8/h3-12H,1-2H3;4*1-10H;2*3-8H,1-2H3;1-6H.
What are the key properties of 1-benzofuran;5-phenyl-1-benzofuran;4-phenyl-1-benzothiophene;5-phenyl-1-benzothiophene;6-phenyl-1-benzothiophene;4-phenyl-6-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene?
1-benzofuran;5-phenyl-1-benzofuran;4-phenyl-1-benzothiophene;5-phenyl-1-benzothiophene;6-phenyl-1-benzothiophene;4-phenyl-6-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene has a molecular weight of 1548.22 g/mol, XLogP of 33.98, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;5-phenyl-1-benzofuran;4-phenyl-1-benzothiophene;5-phenyl-1-benzothiophene;6-phenyl-1-benzothiophene;4-phenyl-6-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene is sourced from PubChem (CID 167681265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).