N-[4-[4-(N-(3,4-diphenylthiophen-2-yl)anilino)phenyl]phenyl]-N,3,4-triphenylthiophen-2-amine

C56H40N2S2 — CID 102269957

IUPACN-[4-[4-(N-(3,4-diphenylthiophen-2-yl)anilino)phenyl]phenyl]-N,3,4-triphenylthiophen-2-amine
SMILESc1ccc(-c2csc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5scc(-c6ccccc6)c5-c5ccccc5)cc4)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C56H40N2S2/c1-7-19-43(20-8-1)51-39-59-55(53(51)45-23-11-3-12-24-45)57(47-27-15-5-16-28-47)49-35-31-41(32-36-49)42-33-37-50(38-34-42)58(48-29-17-6-18-30-48)56-54(46-25-13-4-14-26-46)52(40-60-56)44-21-9-2-10-22-44/h1-40H
InChIKeyCROJKBCRVXZQCS-UHFFFAOYSA-N
MW805.08 g/mol
LogP17.08
Rot. Bonds11

About N-[4-[4-(N-(3,4-diphenylthiophen-2-yl)anilino)phenyl]phenyl]-N,3,4-triphenylthiophen-2-amine

N-[4-[4-(N-(3,4-diphenylthiophen-2-yl)anilino)phenyl]phenyl]-N,3,4-triphenylthiophen-2-amine (PubChem CID 102269957) has the molecular formula C56H40N2S2 and a molecular weight of 805.08 g/mol. Its IUPAC name is N-[4-[4-(N-(3,4-diphenylthiophen-2-yl)anilino)phenyl]phenyl]-N,3,4-triphenylthiophen-2-amine.

Molecular Properties

Compound NameN-[4-[4-(N-(3,4-diphenylthiophen-2-yl)anilino)phenyl]phenyl]-N,3,4-triphenylthiophen-2-amine
PubChem CID102269957
Molecular FormulaC56H40N2S2
Molecular Weight805.08 g/mol
Exact Mass804.26
IUPAC NameN-[4-[4-(N-(3,4-diphenylthiophen-2-yl)anilino)phenyl]phenyl]-N,3,4-triphenylthiophen-2-amine
SMILESc1ccc(-c2csc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5scc(-c6ccccc6)c5-c5ccccc5)cc4)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C56H40N2S2/c1-7-19-43(20-8-1)51-39-59-55(53(51)45-23-11-3-12-24-45)57(47-27-15-5-16-28-47)49-35-31-41(32-36-49)42-33-37-50(38-34-42)58(48-29-17-6-18-30-48)56-54(46-25-13-4-14-26-46)52(40-60-56)44-21-9-2-10-22-44/h1-40H
InChIKeyCROJKBCRVXZQCS-UHFFFAOYSA-N
XLogP17.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.08
LogP ≤ 517.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,3-triphenyl-4-[2-[4-phenyl-5-(N-phenylanilino)thiophen-3-yl]propan-2-yl]thiophen-2-amine
CID 66615594
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
N-[4-(1-benzothiophen-3-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-3-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 59720641
4-N-[4-(1-benzothiophen-3-yl)phenyl]-4-N-[4-[4-[4-(1-benzothiophen-3-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59720656

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-(3,4-diphenylthiophen-2-yl)anilino)phenyl]phenyl]-N,3,4-triphenylthiophen-2-amine?
The IUPAC name of N-[4-[4-(N-(3,4-diphenylthiophen-2-yl)anilino)phenyl]phenyl]-N,3,4-triphenylthiophen-2-amine (CID 102269957) is N-[4-[4-(N-(3,4-diphenylthiophen-2-yl)anilino)phenyl]phenyl]-N,3,4-triphenylthiophen-2-amine.
What is the SMILES notation for N-[4-[4-(N-(3,4-diphenylthiophen-2-yl)anilino)phenyl]phenyl]-N,3,4-triphenylthiophen-2-amine?
The canonical SMILES for N-[4-[4-(N-(3,4-diphenylthiophen-2-yl)anilino)phenyl]phenyl]-N,3,4-triphenylthiophen-2-amine is c1ccc(-c2csc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5scc(-c6ccccc6)c5-c5ccccc5)cc4)cc3)c2-c2ccccc2)cc1.
What is the InChIKey of N-[4-[4-(N-(3,4-diphenylthiophen-2-yl)anilino)phenyl]phenyl]-N,3,4-triphenylthiophen-2-amine?
The InChIKey is CROJKBCRVXZQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2S2/c1-7-19-43(20-8-1)51-39-59-55(53(51)45-23-11-3-12-24-45)57(47-27-15-5-16-28-47)49-35-31-41(32-36-49)42-33-37-50(38-34-42)58(48-29-17-6-18-30-48)56-54(46-25-13-4-14-26-46)52(40-60-56)44-21-9-2-10-22-44/h1-40H.
What are the key properties of N-[4-[4-(N-(3,4-diphenylthiophen-2-yl)anilino)phenyl]phenyl]-N,3,4-triphenylthiophen-2-amine?
N-[4-[4-(N-(3,4-diphenylthiophen-2-yl)anilino)phenyl]phenyl]-N,3,4-triphenylthiophen-2-amine has a molecular weight of 805.08 g/mol, XLogP of 17.08, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-(3,4-diphenylthiophen-2-yl)anilino)phenyl]phenyl]-N,3,4-triphenylthiophen-2-amine is sourced from PubChem (CID 102269957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).