1-N,1-N,3-N,3-N-tetraphenyl-5-thiophen-2-ylbenzene-1,3-diamine

C34H26N2S — CID 23074711

IUPAC1-N,1-N,3-N,3-N-tetraphenyl-5-thiophen-2-ylbenzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3cccs3)cc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C34H26N2S/c1-5-14-28(15-6-1)35(29-16-7-2-8-17-29)32-24-27(34-22-13-23-37-34)25-33(26-32)36(30-18-9-3-10-19-30)31-20-11-4-12-21-31/h1-26H
InChIKeyUOAJGJNJDIEMAB-UHFFFAOYSA-N
MW494.66 g/mol
LogP10.35
Rot. Bonds7

About 1-N,1-N,3-N,3-N-tetraphenyl-5-thiophen-2-ylbenzene-1,3-diamine

1-N,1-N,3-N,3-N-tetraphenyl-5-thiophen-2-ylbenzene-1,3-diamine (PubChem CID 23074711) has the molecular formula C34H26N2S and a molecular weight of 494.66 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N-tetraphenyl-5-thiophen-2-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N-tetraphenyl-5-thiophen-2-ylbenzene-1,3-diamine
PubChem CID23074711
Molecular FormulaC34H26N2S
Molecular Weight494.66 g/mol
Exact Mass494.18
IUPAC Name1-N,1-N,3-N,3-N-tetraphenyl-5-thiophen-2-ylbenzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3cccs3)cc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C34H26N2S/c1-5-14-28(15-6-1)35(29-16-7-2-8-17-29)32-24-27(34-22-13-23-37-34)25-33(26-32)36(30-18-9-3-10-19-30)31-20-11-4-12-21-31/h1-26H
InChIKeyUOAJGJNJDIEMAB-UHFFFAOYSA-N
XLogP10.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.66
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]aniline
CID 102341987
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
phenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone
CID 102408721
3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 155054486
5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde
CID 72702102
3,4,5-trimethoxy-N-(4-thiophen-2-ylphenyl)-N-(3,4,5-trimethoxyphenyl)aniline
CID 169408874
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
N,N-diphenyl-4,6-dithiophen-2-yl-1,3,5-triazin-2-amine
CID 139202565
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
5-(4-methylphenyl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 121295814

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N-tetraphenyl-5-thiophen-2-ylbenzene-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N,3-N-tetraphenyl-5-thiophen-2-ylbenzene-1,3-diamine (CID 23074711) is 1-N,1-N,3-N,3-N-tetraphenyl-5-thiophen-2-ylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N,3-N-tetraphenyl-5-thiophen-2-ylbenzene-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N,3-N-tetraphenyl-5-thiophen-2-ylbenzene-1,3-diamine is c1ccc(N(c2ccccc2)c2cc(-c3cccs3)cc(N(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 1-N,1-N,3-N,3-N-tetraphenyl-5-thiophen-2-ylbenzene-1,3-diamine?
The InChIKey is UOAJGJNJDIEMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2S/c1-5-14-28(15-6-1)35(29-16-7-2-8-17-29)32-24-27(34-22-13-23-37-34)25-33(26-32)36(30-18-9-3-10-19-30)31-20-11-4-12-21-31/h1-26H.
What are the key properties of 1-N,1-N,3-N,3-N-tetraphenyl-5-thiophen-2-ylbenzene-1,3-diamine?
1-N,1-N,3-N,3-N-tetraphenyl-5-thiophen-2-ylbenzene-1,3-diamine has a molecular weight of 494.66 g/mol, XLogP of 10.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N-tetraphenyl-5-thiophen-2-ylbenzene-1,3-diamine is sourced from PubChem (CID 23074711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).