5-phenyl-N,N-bis(5-phenyl-2-thiophen-2-ylphenyl)-2-thiophen-2-ylaniline

C48H33NS3 — CID 175210688

IUPAC5-phenyl-N,N-bis(5-phenyl-2-thiophen-2-ylphenyl)-2-thiophen-2-ylaniline
SMILESc1ccc(-c2ccc(-c3cccs3)c(N(c3cc(-c4ccccc4)ccc3-c3cccs3)c3cc(-c4ccccc4)ccc3-c3cccs3)c2)cc1
InChIInChI=1S/C48H33NS3/c1-4-13-34(14-5-1)37-22-25-40(46-19-10-28-50-46)43(31-37)49(44-32-38(35-15-6-2-7-16-35)23-26-41(44)47-20-11-29-51-47)45-33-39(36-17-8-3-9-18-36)24-27-42(45)48-21-12-30-52-48/h1-33H
InChIKeyZKPNXTLNACPCHL-UHFFFAOYSA-N
MW720.00 g/mol
LogP15.34
Rot. Bonds9

About 5-phenyl-N,N-bis(5-phenyl-2-thiophen-2-ylphenyl)-2-thiophen-2-ylaniline

5-phenyl-N,N-bis(5-phenyl-2-thiophen-2-ylphenyl)-2-thiophen-2-ylaniline (PubChem CID 175210688) has the molecular formula C48H33NS3 and a molecular weight of 720.00 g/mol. Its IUPAC name is 5-phenyl-N,N-bis(5-phenyl-2-thiophen-2-ylphenyl)-2-thiophen-2-ylaniline.

Molecular Properties

Compound Name5-phenyl-N,N-bis(5-phenyl-2-thiophen-2-ylphenyl)-2-thiophen-2-ylaniline
PubChem CID175210688
Molecular FormulaC48H33NS3
Molecular Weight720.00 g/mol
Exact Mass719.18
IUPAC Name5-phenyl-N,N-bis(5-phenyl-2-thiophen-2-ylphenyl)-2-thiophen-2-ylaniline
SMILESc1ccc(-c2ccc(-c3cccs3)c(N(c3cc(-c4ccccc4)ccc3-c3cccs3)c3cc(-c4ccccc4)ccc3-c3cccs3)c2)cc1
InChIInChI=1S/C48H33NS3/c1-4-13-34(14-5-1)37-22-25-40(46-19-10-28-50-46)43(31-37)49(44-32-38(35-15-6-2-7-16-35)23-26-41(44)47-20-11-29-51-47)45-33-39(36-17-8-3-9-18-36)24-27-42(45)48-21-12-30-52-48/h1-33H
InChIKeyZKPNXTLNACPCHL-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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Related Compounds

N,3-diphenyl-N-(3-phenylphenyl)aniline;N,4-diphenyl-N-(4-phenylphenyl)aniline;2-phenyl-N,N-bis(2-phenylphenyl)aniline;3-phenyl-N,N-bis(3-phenylphenyl)aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;4-thiophen-2-yl-N,N-bis(4-thiophen-2-ylphenyl)aniline
CID 162252868
2-(3,4-diphenylphenyl)thiophene
CID 150825396
N,N-diphenyl-4-(4-thiophen-2-ylnaphthalen-1-yl)naphthalen-1-amine
CID 139256573
N-phenyl-N-[4-(7-phenyl-2,1,3-benzothiadiazol-4-yl)phenyl]-3-[3-(N-[4-(4-thiophen-2-yl-2,1,3-benzothiadiazol-7-yl)phenyl]anilino)phenyl]aniline
CID 138468981
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
1-N,1-N,3-N,3-N-tetraphenyl-5-thiophen-2-ylbenzene-1,3-diamine
CID 23074711
6-phenylcyclopenta[b]thiopyran
CID 175596578
N,N-diphenyl-4-(7-phenyl-2,1,3-benzothiadiazol-4-yl)aniline;N,N-diphenyl-4-(4-thiophen-2-yl-2,1,3-benzothiadiazol-7-yl)aniline
CID 158787180
3-(4-phenylphenyl)-2-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 175170754
2-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene
CID 143775701
5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235732
5-thiophen-2-yl-2-benzofuran-1,3-dione
CID 16768871

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N,N-bis(5-phenyl-2-thiophen-2-ylphenyl)-2-thiophen-2-ylaniline?
The IUPAC name of 5-phenyl-N,N-bis(5-phenyl-2-thiophen-2-ylphenyl)-2-thiophen-2-ylaniline (CID 175210688) is 5-phenyl-N,N-bis(5-phenyl-2-thiophen-2-ylphenyl)-2-thiophen-2-ylaniline.
What is the SMILES notation for 5-phenyl-N,N-bis(5-phenyl-2-thiophen-2-ylphenyl)-2-thiophen-2-ylaniline?
The canonical SMILES for 5-phenyl-N,N-bis(5-phenyl-2-thiophen-2-ylphenyl)-2-thiophen-2-ylaniline is c1ccc(-c2ccc(-c3cccs3)c(N(c3cc(-c4ccccc4)ccc3-c3cccs3)c3cc(-c4ccccc4)ccc3-c3cccs3)c2)cc1.
What is the InChIKey of 5-phenyl-N,N-bis(5-phenyl-2-thiophen-2-ylphenyl)-2-thiophen-2-ylaniline?
The InChIKey is ZKPNXTLNACPCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NS3/c1-4-13-34(14-5-1)37-22-25-40(46-19-10-28-50-46)43(31-37)49(44-32-38(35-15-6-2-7-16-35)23-26-41(44)47-20-11-29-51-47)45-33-39(36-17-8-3-9-18-36)24-27-42(45)48-21-12-30-52-48/h1-33H.
What are the key properties of 5-phenyl-N,N-bis(5-phenyl-2-thiophen-2-ylphenyl)-2-thiophen-2-ylaniline?
5-phenyl-N,N-bis(5-phenyl-2-thiophen-2-ylphenyl)-2-thiophen-2-ylaniline 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 5-phenyl-N,N-bis(5-phenyl-2-thiophen-2-ylphenyl)-2-thiophen-2-ylaniline is sourced from PubChem (CID 175210688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).