4-(5-phenylthiophen-2-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline

C48H33NS3 — CID 59601002

IUPAC4-(5-phenylthiophen-2-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)s5)cc4)c4ccc(-c5ccc(-c6ccccc6)s5)cc4)cc3)s2)cc1
InChIInChI=1S/C48H33NS3/c1-4-10-34(11-5-1)43-28-31-46(50-43)37-16-22-40(23-17-37)49(41-24-18-38(19-25-41)47-32-29-44(51-47)35-12-6-2-7-13-35)42-26-20-39(21-27-42)48-33-30-45(52-48)36-14-8-3-9-15-36/h1-33H
InChIKeyUJZRJDHTDMTGAP-UHFFFAOYSA-N
MW720.00 g/mol
LogP15.34
Rot. Bonds9

About 4-(5-phenylthiophen-2-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline

4-(5-phenylthiophen-2-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline (PubChem CID 59601002) has the molecular formula C48H33NS3 and a molecular weight of 720.00 g/mol. Its IUPAC name is 4-(5-phenylthiophen-2-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(5-phenylthiophen-2-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
PubChem CID59601002
Molecular FormulaC48H33NS3
Molecular Weight720.00 g/mol
Exact Mass719.18
IUPAC Name4-(5-phenylthiophen-2-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)s5)cc4)c4ccc(-c5ccc(-c6ccccc6)s5)cc4)cc3)s2)cc1
InChIInChI=1S/C48H33NS3/c1-4-10-34(11-5-1)43-28-31-46(50-43)37-16-22-40(23-17-37)49(41-24-18-38(19-25-41)47-32-29-44(51-47)35-12-6-2-7-13-35)42-26-20-39(21-27-42)48-33-30-45(52-48)36-14-8-3-9-15-36/h1-33H
InChIKeyUJZRJDHTDMTGAP-UHFFFAOYSA-N
XLogP15.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.00
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenylthiophen-2-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline?
The IUPAC name of 4-(5-phenylthiophen-2-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline (CID 59601002) is 4-(5-phenylthiophen-2-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline.
What is the SMILES notation for 4-(5-phenylthiophen-2-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline?
The canonical SMILES for 4-(5-phenylthiophen-2-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)s5)cc4)c4ccc(-c5ccc(-c6ccccc6)s5)cc4)cc3)s2)cc1.
What is the InChIKey of 4-(5-phenylthiophen-2-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline?
The InChIKey is UJZRJDHTDMTGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NS3/c1-4-10-34(11-5-1)43-28-31-46(50-43)37-16-22-40(23-17-37)49(41-24-18-38(19-25-41)47-32-29-44(51-47)35-12-6-2-7-13-35)42-26-20-39(21-27-42)48-33-30-45(52-48)36-14-8-3-9-15-36/h1-33H.
What are the key properties of 4-(5-phenylthiophen-2-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline?
4-(5-phenylthiophen-2-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline has a molecular weight of 720.00 g/mol, XLogP of 15.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenylthiophen-2-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline is sourced from PubChem (CID 59601002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).