N-[4-[2-[4-[2-[2,4-dimethyl-5-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]thiophen-3-yl]cyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

C61H58N2S2 — CID 73458343

IUPACN-[4-[2-[4-[2-[2,4-dimethyl-5-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]thiophen-3-yl]cyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3sc(C)c(C4=C(c5c(C)sc(C=Cc6ccc(N(c7ccc(C)cc7)c7ccc(C)cc7)cc6)c5C)CCC4)c3C)cc2)cc1
InChIInChI=1S/C61H58N2S2/c1-40-12-26-50(27-13-40)62(51-28-14-41(2)15-29-51)54-34-20-48(21-35-54)24-38-58-44(5)60(46(7)64-58)56-10-9-11-57(56)61-45(6)59(65-47(61)8)39-25-49-22-36-55(37-23-49)63(52-30-16-42(3)17-31-52)53-32-18-43(4)19-33-53/h12-39H,9-11H2,1-8H3
InChIKeyIOYZTMVWSCYWJA-UHFFFAOYSA-N
MW883.28 g/mol
LogP18.65
Rot. Bonds12

About N-[4-[2-[4-[2-[2,4-dimethyl-5-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]thiophen-3-yl]cyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-[2-[4-[2-[2,4-dimethyl-5-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]thiophen-3-yl]cyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 73458343) has the molecular formula C61H58N2S2 and a molecular weight of 883.28 g/mol. Its IUPAC name is N-[4-[2-[4-[2-[2,4-dimethyl-5-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]thiophen-3-yl]cyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[2-[4-[2-[2,4-dimethyl-5-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]thiophen-3-yl]cyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID73458343
Molecular FormulaC61H58N2S2
Molecular Weight883.28 g/mol
Exact Mass882.40
IUPAC NameN-[4-[2-[4-[2-[2,4-dimethyl-5-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]thiophen-3-yl]cyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3sc(C)c(C4=C(c5c(C)sc(C=Cc6ccc(N(c7ccc(C)cc7)c7ccc(C)cc7)cc6)c5C)CCC4)c3C)cc2)cc1
InChIInChI=1S/C61H58N2S2/c1-40-12-26-50(27-13-40)62(51-28-14-41(2)15-29-51)54-34-20-48(21-35-54)24-38-58-44(5)60(46(7)64-58)56-10-9-11-57(56)61-45(6)59(65-47(61)8)39-25-49-22-36-55(37-23-49)63(52-30-16-42(3)17-31-52)53-32-18-43(4)19-33-53/h12-39H,9-11H2,1-8H3
InChIKeyIOYZTMVWSCYWJA-UHFFFAOYSA-N
XLogP18.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.28
LogP ≤ 518.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-[4-[2-[2,4-dimethyl-5-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]thiophen-3-yl]cyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline with MolForge

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Related Compounds

ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline
CID 59805421
N-[4-[4-[2-[2,4-dimethyl-5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-3-yl]cyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-[4-[2-methyl-3-[2-[2-methyl-6-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-benzothiophen-3-yl]cyclopenten-1-yl]-1-benzothiophen-6-yl]phenyl]-N-(4-methylphenyl)aniline;molecular fluorine
CID 162110441
4-(4-methyl-N-[4-[(E)-2-[4-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]anilino)benzenethiol
CID 143060501
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 118284207
1-N,3-N,5-N-tris(4-methylphenyl)-1-N,3-N,5-N-tris[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3,5-triamine
CID 121421564
4-methyl-N-(4-methylphenyl)-N-[4-[2-[2-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline
CID 59920498
N-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 76600737
4-methyl-N-(4-methylphenyl)-N-[4-[2-[4-(4-prop-1-enylphenyl)phenyl]ethenyl]phenyl]aniline
CID 58785033
4-methyl-N-[4-[(E)-2-[2-[2-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 67043605
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]phenyl]aniline
CID 89314584

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[2-[2,4-dimethyl-5-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]thiophen-3-yl]cyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[2-[4-[2-[2,4-dimethyl-5-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]thiophen-3-yl]cyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 73458343) is N-[4-[2-[4-[2-[2,4-dimethyl-5-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]thiophen-3-yl]cyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[2-[4-[2-[2,4-dimethyl-5-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]thiophen-3-yl]cyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[2-[4-[2-[2,4-dimethyl-5-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]thiophen-3-yl]cyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3sc(C)c(C4=C(c5c(C)sc(C=Cc6ccc(N(c7ccc(C)cc7)c7ccc(C)cc7)cc6)c5C)CCC4)c3C)cc2)cc1.
What is the InChIKey of N-[4-[2-[4-[2-[2,4-dimethyl-5-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]thiophen-3-yl]cyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is IOYZTMVWSCYWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H58N2S2/c1-40-12-26-50(27-13-40)62(51-28-14-41(2)15-29-51)54-34-20-48(21-35-54)24-38-58-44(5)60(46(7)64-58)56-10-9-11-57(56)61-45(6)59(65-47(61)8)39-25-49-22-36-55(37-23-49)63(52-30-16-42(3)17-31-52)53-32-18-43(4)19-33-53/h12-39H,9-11H2,1-8H3.
What are the key properties of N-[4-[2-[4-[2-[2,4-dimethyl-5-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]thiophen-3-yl]cyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[2-[4-[2-[2,4-dimethyl-5-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]thiophen-3-yl]cyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 883.28 g/mol, XLogP of 18.65, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[2-[2,4-dimethyl-5-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]thiophen-3-yl]cyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 73458343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).