5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-2-[3-[5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophen-2-yl]phenyl]thiophene

C44H38S2 — CID 122221813

IUPAC5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-2-[3-[5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophen-2-yl]phenyl]thiophene
SMILESCc1ccccc1Cc1cc(-c2ccccc2C)sc1-c1cccc(-c2sc(-c3ccccc3C)cc2Cc2ccccc2C)c1
InChIInChI=1S/C44H38S2/c1-29-14-5-9-18-33(29)24-37-27-41(39-22-11-7-16-31(39)3)45-43(37)35-20-13-21-36(26-35)44-38(25-34-19-10-6-15-30(34)2)28-42(46-44)40-23-12-8-17-32(40)4/h5-23,26-28H,24-25H2,1-4H3
InChIKeyRHZIYSYERAELID-UHFFFAOYSA-N
MW630.92 g/mol
LogP12.89
Rot. Bonds8

About 5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-2-[3-[5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophen-2-yl]phenyl]thiophene

5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-2-[3-[5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophen-2-yl]phenyl]thiophene (PubChem CID 122221813) has the molecular formula C44H38S2 and a molecular weight of 630.92 g/mol. Its IUPAC name is 5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-2-[3-[5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophen-2-yl]phenyl]thiophene.

Molecular Properties

Compound Name5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-2-[3-[5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophen-2-yl]phenyl]thiophene
PubChem CID122221813
Molecular FormulaC44H38S2
Molecular Weight630.92 g/mol
Exact Mass630.24
IUPAC Name5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-2-[3-[5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophen-2-yl]phenyl]thiophene
SMILESCc1ccccc1Cc1cc(-c2ccccc2C)sc1-c1cccc(-c2sc(-c3ccccc3C)cc2Cc2ccccc2C)c1
InChIInChI=1S/C44H38S2/c1-29-14-5-9-18-33(29)24-37-27-41(39-22-11-7-16-31(39)3)45-43(37)35-20-13-21-36(26-35)44-38(25-34-19-10-6-15-30(34)2)28-42(46-44)40-23-12-8-17-32(40)4/h5-23,26-28H,24-25H2,1-4H3
InChIKeyRHZIYSYERAELID-UHFFFAOYSA-N
XLogP12.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.92
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-2-[3-[5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophen-2-yl]phenyl]thiophene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-2-[3-[5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophen-2-yl]phenyl]thiophene?
The IUPAC name of 5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-2-[3-[5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophen-2-yl]phenyl]thiophene (CID 122221813) is 5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-2-[3-[5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophen-2-yl]phenyl]thiophene.
What is the SMILES notation for 5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-2-[3-[5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophen-2-yl]phenyl]thiophene?
The canonical SMILES for 5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-2-[3-[5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophen-2-yl]phenyl]thiophene is Cc1ccccc1Cc1cc(-c2ccccc2C)sc1-c1cccc(-c2sc(-c3ccccc3C)cc2Cc2ccccc2C)c1.
What is the InChIKey of 5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-2-[3-[5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophen-2-yl]phenyl]thiophene?
The InChIKey is RHZIYSYERAELID-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38S2/c1-29-14-5-9-18-33(29)24-37-27-41(39-22-11-7-16-31(39)3)45-43(37)35-20-13-21-36(26-35)44-38(25-34-19-10-6-15-30(34)2)28-42(46-44)40-23-12-8-17-32(40)4/h5-23,26-28H,24-25H2,1-4H3.
What are the key properties of 5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-2-[3-[5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophen-2-yl]phenyl]thiophene?
5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-2-[3-[5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophen-2-yl]phenyl]thiophene has a molecular weight of 630.92 g/mol, XLogP of 12.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-2-[3-[5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophen-2-yl]phenyl]thiophene is sourced from PubChem (CID 122221813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).