4-(4-methoxyphenyl)-2-(2-methylphenyl)-5-(4-methylphenyl)-3-phenylthiophene

C31H26OS — CID 54577902

IUPAC4-(4-methoxyphenyl)-2-(2-methylphenyl)-5-(4-methylphenyl)-3-phenylthiophene
SMILESCOc1ccc(-c2c(-c3ccc(C)cc3)sc(-c3ccccc3C)c2-c2ccccc2)cc1
InChIInChI=1S/C31H26OS/c1-21-13-15-25(16-14-21)30-28(24-17-19-26(32-3)20-18-24)29(23-10-5-4-6-11-23)31(33-30)27-12-8-7-9-22(27)2/h4-20H,1-3H3
InChIKeyBFSMXYITOLSPLV-UHFFFAOYSA-N
MW446.62 g/mol
LogP9.04
Rot. Bonds5

About 4-(4-methoxyphenyl)-2-(2-methylphenyl)-5-(4-methylphenyl)-3-phenylthiophene

4-(4-methoxyphenyl)-2-(2-methylphenyl)-5-(4-methylphenyl)-3-phenylthiophene (PubChem CID 54577902) has the molecular formula C31H26OS and a molecular weight of 446.62 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-(2-methylphenyl)-5-(4-methylphenyl)-3-phenylthiophene.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-(2-methylphenyl)-5-(4-methylphenyl)-3-phenylthiophene
PubChem CID54577902
Molecular FormulaC31H26OS
Molecular Weight446.62 g/mol
Exact Mass446.17
IUPAC Name4-(4-methoxyphenyl)-2-(2-methylphenyl)-5-(4-methylphenyl)-3-phenylthiophene
SMILESCOc1ccc(-c2c(-c3ccc(C)cc3)sc(-c3ccccc3C)c2-c2ccccc2)cc1
InChIInChI=1S/C31H26OS/c1-21-13-15-25(16-14-21)30-28(24-17-19-26(32-3)20-18-24)29(23-10-5-4-6-11-23)31(33-30)27-12-8-7-9-22(27)2/h4-20H,1-3H3
InChIKeyBFSMXYITOLSPLV-UHFFFAOYSA-N
XLogP9.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.62
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene
CID 102299533
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
2-(3,4-difluorophenyl)-4-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-phenylthiophene
CID 141206088
1,3-bis(2-bromophenyl)-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
CID 101257502
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
CID 173189759
1,3-bis(4-methoxyphenyl)-2-benzothiophene
CID 14668872
9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene
CID 11523963
3-[4-[7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthen-3-yl]naphthalen-1-yl]-7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthene
CID 163603931
6-methoxy-2,3-diphenyl-1-benzothiophene
CID 13013583
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
methane;1-methoxy-4-methylbenzene;propane;1,2-xylene
CID 158575939

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-(2-methylphenyl)-5-(4-methylphenyl)-3-phenylthiophene?
The IUPAC name of 4-(4-methoxyphenyl)-2-(2-methylphenyl)-5-(4-methylphenyl)-3-phenylthiophene (CID 54577902) is 4-(4-methoxyphenyl)-2-(2-methylphenyl)-5-(4-methylphenyl)-3-phenylthiophene.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-(2-methylphenyl)-5-(4-methylphenyl)-3-phenylthiophene?
The canonical SMILES for 4-(4-methoxyphenyl)-2-(2-methylphenyl)-5-(4-methylphenyl)-3-phenylthiophene is COc1ccc(-c2c(-c3ccc(C)cc3)sc(-c3ccccc3C)c2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-(2-methylphenyl)-5-(4-methylphenyl)-3-phenylthiophene?
The InChIKey is BFSMXYITOLSPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26OS/c1-21-13-15-25(16-14-21)30-28(24-17-19-26(32-3)20-18-24)29(23-10-5-4-6-11-23)31(33-30)27-12-8-7-9-22(27)2/h4-20H,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-2-(2-methylphenyl)-5-(4-methylphenyl)-3-phenylthiophene?
4-(4-methoxyphenyl)-2-(2-methylphenyl)-5-(4-methylphenyl)-3-phenylthiophene has a molecular weight of 446.62 g/mol, XLogP of 9.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-(2-methylphenyl)-5-(4-methylphenyl)-3-phenylthiophene is sourced from PubChem (CID 54577902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).