4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline

C48H40N2S2 — CID 18513253

IUPAC4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)s4)s3)cc2)cc1
InChIInChI=1S/C48H40N2S2/c1-33-5-17-39(18-6-33)49(40-19-7-34(2)8-20-40)43-25-13-37(14-26-43)45-29-31-47(51-45)48-32-30-46(52-48)38-15-27-44(28-16-38)50(41-21-9-35(3)10-22-41)42-23-11-36(4)12-24-42/h5-32H,1-4H3
InChIKeyBQMYLPCWSOVNPE-UHFFFAOYSA-N
MW709.00 g/mol
LogP14.98
Rot. Bonds9

About 4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline

4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline (PubChem CID 18513253) has the molecular formula C48H40N2S2 and a molecular weight of 709.00 g/mol. Its IUPAC name is 4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline
PubChem CID18513253
Molecular FormulaC48H40N2S2
Molecular Weight709.00 g/mol
Exact Mass708.26
IUPAC Name4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)s4)s3)cc2)cc1
InChIInChI=1S/C48H40N2S2/c1-33-5-17-39(18-6-33)49(40-19-7-34(2)8-20-40)43-25-13-37(14-26-43)45-29-31-47(51-45)48-32-30-46(52-48)38-15-27-44(28-16-38)50(41-21-9-35(3)10-22-41)42-23-11-36(4)12-24-42/h5-32H,1-4H3
InChIKeyBQMYLPCWSOVNPE-UHFFFAOYSA-N
XLogP14.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.00
LogP ≤ 514.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline 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

CID 12965114
CID 12965114
CID 68210165
CID 68210165
CID 71310445
CID 71310445
CID 102196384
CID 102196384
CID 15315428
CID 15315428
CID 139095526
CID 139095526
CID 10842490
CID 10842490
CID 85814743
CID 85814743
CID 18769421
CID 18769421
CID 23569586
CID 23569586
CID 57568136
CID 57568136
CID 57568158
CID 57568158

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline?
The IUPAC name of 4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline (CID 18513253) is 4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline.
What is the SMILES notation for 4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline?
The canonical SMILES for 4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)s4)s3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline?
The InChIKey is BQMYLPCWSOVNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N2S2/c1-33-5-17-39(18-6-33)49(40-19-7-34(2)8-20-40)43-25-13-37(14-26-43)45-29-31-47(51-45)48-32-30-46(52-48)38-15-27-44(28-16-38)50(41-21-9-35(3)10-22-41)42-23-11-36(4)12-24-42/h5-32H,1-4H3.
What are the key properties of 4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline?
4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline has a molecular weight of 709.00 g/mol, XLogP of 14.98, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline is sourced from PubChem (CID 18513253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).