1-(2-tert-butyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2,3-diphenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2-methyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(5-methyl-2-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene

C140H104S4 — CID 157470270

IUPAC1-(2-tert-butyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2,3-diphenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2-methyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(5-methyl-2-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene
SMILESCC(C)(C)c1cccc(-c2ccccc2)c1-c1sc(-c2ccccc2-c2ccccc2)c2ccccc12.Cc1ccc(-c2ccccc2)c(-c2sc(-c3ccccc3-c3ccccc3)c3ccccc23)c1.Cc1cccc(-c2ccccc2)c1-c1sc(-c2ccccc2-c2ccccc2)c2ccccc12.c1ccc(-c2ccccc2-c2sc(-c3cccc(-c4ccccc4)c3-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C38H26S.C36H30S.2C33H24S/c1-4-15-27(16-5-1)30-21-10-11-22-32(30)37-33-23-12-13-24-34(33)38(39-37)35-26-14-25-31(28-17-6-2-7-18-28)36(35)29-19-8-3-9-20-29;1-36(2,3)32-24-14-23-28(26-17-8-5-9-18-26)33(32)35-31-22-13-12-21-30(31)34(37-35)29-20-11-10-19-27(29)25-15-6-4-7-16-25;1-23-13-12-22-27(25-16-6-3-7-17-25)31(23)33-30-21-11-10-20-29(30)32(34-33)28-19-9-8-18-26(28)24-14-4-2-5-15-24;1-23-20-21-27(25-14-6-3-7-15-25)31(22-23)33-30-19-11-10-18-29(30)32(34-33)28-17-9-8-16-26(28)24-12-4-2-5-13-24/h1-26H;4-24H,1-3H3;2*2-22H,1H3
InChIKeyBUYKOLPDFNVJDO-UHFFFAOYSA-N
MW1914.64 g/mol
LogP41.86
Rot. Bonds17

About 1-(2-tert-butyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2,3-diphenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2-methyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(5-methyl-2-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene

1-(2-tert-butyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2,3-diphenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2-methyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(5-methyl-2-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene (PubChem CID 157470270) has the molecular formula C140H104S4 and a molecular weight of 1914.64 g/mol. Its IUPAC name is 1-(2-tert-butyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2,3-diphenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2-methyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(5-methyl-2-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene.

Molecular Properties

Compound Name1-(2-tert-butyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2,3-diphenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2-methyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(5-methyl-2-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene
PubChem CID157470270
Molecular FormulaC140H104S4
Molecular Weight1914.64 g/mol
Exact Mass1912.70
IUPAC Name1-(2-tert-butyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2,3-diphenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2-methyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(5-methyl-2-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene
SMILESCC(C)(C)c1cccc(-c2ccccc2)c1-c1sc(-c2ccccc2-c2ccccc2)c2ccccc12.Cc1ccc(-c2ccccc2)c(-c2sc(-c3ccccc3-c3ccccc3)c3ccccc23)c1.Cc1cccc(-c2ccccc2)c1-c1sc(-c2ccccc2-c2ccccc2)c2ccccc12.c1ccc(-c2ccccc2-c2sc(-c3cccc(-c4ccccc4)c3-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C38H26S.C36H30S.2C33H24S/c1-4-15-27(16-5-1)30-21-10-11-22-32(30)37-33-23-12-13-24-34(33)38(39-37)35-26-14-25-31(28-17-6-2-7-18-28)36(35)29-19-8-3-9-20-29;1-36(2,3)32-24-14-23-28(26-17-8-5-9-18-26)33(32)35-31-22-13-12-21-30(31)34(37-35)29-20-11-10-19-27(29)25-15-6-4-7-16-25;1-23-13-12-22-27(25-16-6-3-7-17-25)31(23)33-30-21-11-10-20-29(30)32(34-33)28-19-9-8-18-26(28)24-14-4-2-5-15-24;1-23-20-21-27(25-14-6-3-7-15-25)31(22-23)33-30-19-11-10-18-29(30)32(34-33)28-17-9-8-16-26(28)24-12-4-2-5-13-24/h1-26H;4-24H,1-3H3;2*2-22H,1H3
InChIKeyBUYKOLPDFNVJDO-UHFFFAOYSA-N
XLogP41.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001914.64
LogP ≤ 541.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-tert-butyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2,3-diphenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2-methyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(5-methyl-2-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene with MolForge

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Related Compounds

1-(5-methyl-2-phenylphenyl)-3-(4-phenylphenyl)-2-benzothiophene
CID 156553677
1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene
CID 156552708
1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene
CID 156553110
1,3-ditert-butyl-2-(2,5-dimethylphenyl)benzene
CID 173061773
1-(2,6-diphenylphenyl)-3-triphenylen-1-yl-2-benzothiophene
CID 156553113
1-methyl-2,3-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-2-(2-phenylphenyl)benzene;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene
CID 162010466
4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
CID 59171641
1-methyl-2,3-diphenylbenzene;sulfane
CID 174862423
azane;1-methyl-2,3-diphenylbenzene
CID 175031313
1,2,4,5-tetrakis(2,6-ditert-butylphenyl)-3-phenylbenzene
CID 141273457
1-(4-tert-butyl-2,6-diphenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene
CID 156553641
1-methyl-4,8-diphenylazulene
CID 86056773

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2,3-diphenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2-methyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(5-methyl-2-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene?
The IUPAC name of 1-(2-tert-butyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2,3-diphenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2-methyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(5-methyl-2-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene (CID 157470270) is 1-(2-tert-butyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2,3-diphenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2-methyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(5-methyl-2-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene.
What is the SMILES notation for 1-(2-tert-butyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2,3-diphenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2-methyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(5-methyl-2-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene?
The canonical SMILES for 1-(2-tert-butyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2,3-diphenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2-methyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(5-methyl-2-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene is CC(C)(C)c1cccc(-c2ccccc2)c1-c1sc(-c2ccccc2-c2ccccc2)c2ccccc12.Cc1ccc(-c2ccccc2)c(-c2sc(-c3ccccc3-c3ccccc3)c3ccccc23)c1.Cc1cccc(-c2ccccc2)c1-c1sc(-c2ccccc2-c2ccccc2)c2ccccc12.c1ccc(-c2ccccc2-c2sc(-c3cccc(-c4ccccc4)c3-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-(2-tert-butyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2,3-diphenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2-methyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(5-methyl-2-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene?
The InChIKey is BUYKOLPDFNVJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26S.C36H30S.2C33H24S/c1-4-15-27(16-5-1)30-21-10-11-22-32(30)37-33-23-12-13-24-34(33)38(39-37)35-26-14-25-31(28-17-6-2-7-18-28)36(35)29-19-8-3-9-20-29;1-36(2,3)32-24-14-23-28(26-17-8-5-9-18-26)33(32)35-31-22-13-12-21-30(31)34(37-35)29-20-11-10-19-27(29)25-15-6-4-7-16-25;1-23-13-12-22-27(25-16-6-3-7-17-25)31(23)33-30-21-11-10-20-29(30)32(34-33)28-19-9-8-18-26(28)24-14-4-2-5-15-24;1-23-20-21-27(25-14-6-3-7-15-25)31(22-23)33-30-19-11-10-18-29(30)32(34-33)28-17-9-8-16-26(28)24-12-4-2-5-13-24/h1-26H;4-24H,1-3H3;2*2-22H,1H3.
What are the key properties of 1-(2-tert-butyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2,3-diphenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2-methyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(5-methyl-2-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene?
1-(2-tert-butyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2,3-diphenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2-methyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(5-methyl-2-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene has a molecular weight of 1914.64 g/mol, XLogP of 41.86, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2,3-diphenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2-methyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(5-methyl-2-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene is sourced from PubChem (CID 157470270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).