N,N,3-triphenyl-4-[2-[4-phenyl-5-(N-phenylanilino)thiophen-3-yl]propan-2-yl]thiophen-2-amine

C47H38N2S2 — CID 66615594

IUPACN,N,3-triphenyl-4-[2-[4-phenyl-5-(N-phenylanilino)thiophen-3-yl]propan-2-yl]thiophen-2-amine
SMILESCC(C)(c1csc(N(c2ccccc2)c2ccccc2)c1-c1ccccc1)c1csc(N(c2ccccc2)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C47H38N2S2/c1-47(2,41-33-50-45(43(41)35-21-9-3-10-22-35)48(37-25-13-5-14-26-37)38-27-15-6-16-28-38)42-34-51-46(44(42)36-23-11-4-12-24-36)49(39-29-17-7-18-30-39)40-31-19-8-20-32-40/h3-34H,1-2H3
InChIKeyXVZUYINOGGDLMD-UHFFFAOYSA-N
MW694.97 g/mol
LogP14.41
Rot. Bonds10

About N,N,3-triphenyl-4-[2-[4-phenyl-5-(N-phenylanilino)thiophen-3-yl]propan-2-yl]thiophen-2-amine

N,N,3-triphenyl-4-[2-[4-phenyl-5-(N-phenylanilino)thiophen-3-yl]propan-2-yl]thiophen-2-amine (PubChem CID 66615594) has the molecular formula C47H38N2S2 and a molecular weight of 694.97 g/mol. Its IUPAC name is N,N,3-triphenyl-4-[2-[4-phenyl-5-(N-phenylanilino)thiophen-3-yl]propan-2-yl]thiophen-2-amine.

Molecular Properties

Compound NameN,N,3-triphenyl-4-[2-[4-phenyl-5-(N-phenylanilino)thiophen-3-yl]propan-2-yl]thiophen-2-amine
PubChem CID66615594
Molecular FormulaC47H38N2S2
Molecular Weight694.97 g/mol
Exact Mass694.25
IUPAC NameN,N,3-triphenyl-4-[2-[4-phenyl-5-(N-phenylanilino)thiophen-3-yl]propan-2-yl]thiophen-2-amine
SMILESCC(C)(c1csc(N(c2ccccc2)c2ccccc2)c1-c1ccccc1)c1csc(N(c2ccccc2)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C47H38N2S2/c1-47(2,41-33-50-45(43(41)35-21-9-3-10-22-35)48(37-25-13-5-14-26-37)38-27-15-6-16-28-38)42-34-51-46(44(42)36-23-11-4-12-24-36)49(39-29-17-7-18-30-39)40-31-19-8-20-32-40/h3-34H,1-2H3
InChIKeyXVZUYINOGGDLMD-UHFFFAOYSA-N
XLogP14.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.97
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(N-(3,4-diphenylthiophen-2-yl)anilino)phenyl]phenyl]-N,3,4-triphenylthiophen-2-amine
CID 102269957
tris(1,1'-biphenyl);N,N-diphenylaniline
CID 175290151
4-N,4-N,10-N,10-N,3,11-hexakis-phenyl-5,9-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene-4,10-diamine
CID 23591120
4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[2-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]propan-2-yl]phenyl]aniline
CID 158713141
4-N-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59221775
N,N-diphenyl-4-(3,4,5-triphenylthiophen-2-yl)aniline
CID 14876632
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
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
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

Frequently Asked Questions

What is the IUPAC name of N,N,3-triphenyl-4-[2-[4-phenyl-5-(N-phenylanilino)thiophen-3-yl]propan-2-yl]thiophen-2-amine?
The IUPAC name of N,N,3-triphenyl-4-[2-[4-phenyl-5-(N-phenylanilino)thiophen-3-yl]propan-2-yl]thiophen-2-amine (CID 66615594) is N,N,3-triphenyl-4-[2-[4-phenyl-5-(N-phenylanilino)thiophen-3-yl]propan-2-yl]thiophen-2-amine.
What is the SMILES notation for N,N,3-triphenyl-4-[2-[4-phenyl-5-(N-phenylanilino)thiophen-3-yl]propan-2-yl]thiophen-2-amine?
The canonical SMILES for N,N,3-triphenyl-4-[2-[4-phenyl-5-(N-phenylanilino)thiophen-3-yl]propan-2-yl]thiophen-2-amine is CC(C)(c1csc(N(c2ccccc2)c2ccccc2)c1-c1ccccc1)c1csc(N(c2ccccc2)c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N,N,3-triphenyl-4-[2-[4-phenyl-5-(N-phenylanilino)thiophen-3-yl]propan-2-yl]thiophen-2-amine?
The InChIKey is XVZUYINOGGDLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H38N2S2/c1-47(2,41-33-50-45(43(41)35-21-9-3-10-22-35)48(37-25-13-5-14-26-37)38-27-15-6-16-28-38)42-34-51-46(44(42)36-23-11-4-12-24-36)49(39-29-17-7-18-30-39)40-31-19-8-20-32-40/h3-34H,1-2H3.
What are the key properties of N,N,3-triphenyl-4-[2-[4-phenyl-5-(N-phenylanilino)thiophen-3-yl]propan-2-yl]thiophen-2-amine?
N,N,3-triphenyl-4-[2-[4-phenyl-5-(N-phenylanilino)thiophen-3-yl]propan-2-yl]thiophen-2-amine has a molecular weight of 694.97 g/mol, XLogP of 14.41, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-triphenyl-4-[2-[4-phenyl-5-(N-phenylanilino)thiophen-3-yl]propan-2-yl]thiophen-2-amine is sourced from PubChem (CID 66615594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).