5-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-3-pyridinyl]-N,N-bis(4-methylphenyl)thiophen-2-amine

C41H35N3S2 — CID 141326754

IUPAC5-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-3-pyridinyl]-N,N-bis(4-methylphenyl)thiophen-2-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cncc(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)s4)c3)s2)cc1
InChIInChI=1S/C41H35N3S2/c1-28-5-13-34(14-6-28)43(35-15-7-29(2)8-16-35)40-23-21-38(45-40)32-25-33(27-42-26-32)39-22-24-41(46-39)44(36-17-9-30(3)10-18-36)37-19-11-31(4)12-20-37/h5-27H,1-4H3
InChIKeyJRAOKNOPQMMSHM-UHFFFAOYSA-N
MW633.89 g/mol
LogP12.71
Rot. Bonds8

About 5-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-3-pyridinyl]-N,N-bis(4-methylphenyl)thiophen-2-amine

5-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-3-pyridinyl]-N,N-bis(4-methylphenyl)thiophen-2-amine (PubChem CID 141326754) has the molecular formula C41H35N3S2 and a molecular weight of 633.89 g/mol. Its IUPAC name is 5-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-3-pyridinyl]-N,N-bis(4-methylphenyl)thiophen-2-amine.

Molecular Properties

Compound Name5-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-3-pyridinyl]-N,N-bis(4-methylphenyl)thiophen-2-amine
PubChem CID141326754
Molecular FormulaC41H35N3S2
Molecular Weight633.89 g/mol
Exact Mass633.23
IUPAC Name5-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-3-pyridinyl]-N,N-bis(4-methylphenyl)thiophen-2-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cncc(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)s4)c3)s2)cc1
InChIInChI=1S/C41H35N3S2/c1-28-5-13-34(14-6-28)43(35-15-7-29(2)8-16-35)40-23-21-38(45-40)32-25-33(27-42-26-32)39-22-24-41(46-39)44(36-17-9-30(3)10-18-36)37-19-11-31(4)12-20-37/h5-27H,1-4H3
InChIKeyJRAOKNOPQMMSHM-UHFFFAOYSA-N
XLogP12.71
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.89
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis(4-methylphenyl)-5-(2-methyl-4-pyridinyl)thiophen-2-amine
CID 146220860
4-methyl-N-[4-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline
CID 18513254
N,N-diphenyl-5-[4-[2,3,7,8-tetramethyl-5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine
CID 138489029
5-[2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)thiophen-2-amine
CID 129061228
9-[4-[5-[5-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole;4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-N-(4-methylphenyl)aniline
CID 159131794
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
4-methyl-N-[4-[4-(4-methyl-N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline;4-phenyl-N-[4-[4-(4-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline;N-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline
CID 161438714
4-methyl-N-[4-[4-[4-[4-(N-(4-methylphenyl)anilino)phenyl]-N-[4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 88567826
5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde
CID 107586185
1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethanamine
CID 107586222
N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]thiophen-2-amine
CID 43833527
4-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(5-methylthiophen-2-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59469925

Frequently Asked Questions

What is the IUPAC name of 5-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-3-pyridinyl]-N,N-bis(4-methylphenyl)thiophen-2-amine?
The IUPAC name of 5-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-3-pyridinyl]-N,N-bis(4-methylphenyl)thiophen-2-amine (CID 141326754) is 5-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-3-pyridinyl]-N,N-bis(4-methylphenyl)thiophen-2-amine.
What is the SMILES notation for 5-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-3-pyridinyl]-N,N-bis(4-methylphenyl)thiophen-2-amine?
The canonical SMILES for 5-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-3-pyridinyl]-N,N-bis(4-methylphenyl)thiophen-2-amine is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cncc(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)s4)c3)s2)cc1.
What is the InChIKey of 5-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-3-pyridinyl]-N,N-bis(4-methylphenyl)thiophen-2-amine?
The InChIKey is JRAOKNOPQMMSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H35N3S2/c1-28-5-13-34(14-6-28)43(35-15-7-29(2)8-16-35)40-23-21-38(45-40)32-25-33(27-42-26-32)39-22-24-41(46-39)44(36-17-9-30(3)10-18-36)37-19-11-31(4)12-20-37/h5-27H,1-4H3.
What are the key properties of 5-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-3-pyridinyl]-N,N-bis(4-methylphenyl)thiophen-2-amine?
5-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-3-pyridinyl]-N,N-bis(4-methylphenyl)thiophen-2-amine has a molecular weight of 633.89 g/mol, XLogP of 12.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-3-pyridinyl]-N,N-bis(4-methylphenyl)thiophen-2-amine is sourced from PubChem (CID 141326754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).