4-(3-naphthalen-1-ylthiophen-2-yl)-N-[4-(3-naphthalen-1-ylthiophen-2-yl)phenyl]aniline

C40H27NS2 — CID 175189327

IUPAC4-(3-naphthalen-1-ylthiophen-2-yl)-N-[4-(3-naphthalen-1-ylthiophen-2-yl)phenyl]aniline
SMILESc1ccc2c(-c3ccsc3-c3ccc(Nc4ccc(-c5sccc5-c5cccc6ccccc56)cc4)cc3)cccc2c1
InChIInChI=1S/C40H27NS2/c1-3-11-33-27(7-1)9-5-13-35(33)37-23-25-42-39(37)29-15-19-31(20-16-29)41-32-21-17-30(18-22-32)40-38(24-26-43-40)36-14-6-10-28-8-2-4-12-34(28)36/h1-26,41H
InChIKeyXXLGNYBUQQOQNI-UHFFFAOYSA-N
MW585.80 g/mol
LogP12.53
Rot. Bonds6

About 4-(3-naphthalen-1-ylthiophen-2-yl)-N-[4-(3-naphthalen-1-ylthiophen-2-yl)phenyl]aniline

4-(3-naphthalen-1-ylthiophen-2-yl)-N-[4-(3-naphthalen-1-ylthiophen-2-yl)phenyl]aniline (PubChem CID 175189327) has the molecular formula C40H27NS2 and a molecular weight of 585.80 g/mol. Its IUPAC name is 4-(3-naphthalen-1-ylthiophen-2-yl)-N-[4-(3-naphthalen-1-ylthiophen-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(3-naphthalen-1-ylthiophen-2-yl)-N-[4-(3-naphthalen-1-ylthiophen-2-yl)phenyl]aniline
PubChem CID175189327
Molecular FormulaC40H27NS2
Molecular Weight585.80 g/mol
Exact Mass585.16
IUPAC Name4-(3-naphthalen-1-ylthiophen-2-yl)-N-[4-(3-naphthalen-1-ylthiophen-2-yl)phenyl]aniline
SMILESc1ccc2c(-c3ccsc3-c3ccc(Nc4ccc(-c5sccc5-c5cccc6ccccc56)cc4)cc3)cccc2c1
InChIInChI=1S/C40H27NS2/c1-3-11-33-27(7-1)9-5-13-35(33)37-23-25-42-39(37)29-15-19-31(20-16-29)41-32-21-17-30(18-22-32)40-38(24-26-43-40)36-14-6-10-28-8-2-4-12-34(28)36/h1-26,41H
InChIKeyXXLGNYBUQQOQNI-UHFFFAOYSA-N
XLogP12.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.80
LogP ≤ 512.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-anilinophenyl)-2-naphthalen-1-yl-N-phenylaniline
CID 66605145
N-[4-[2-naphthalen-1-yl-4-(naphthalen-2-ylamino)phenyl]phenyl]naphthalen-2-amine
CID 141423625
7-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 166714630
2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878
2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline
CID 69101182
2-methoxy-3-naphthalen-1-ylthiophene
CID 174648432

Frequently Asked Questions

What is the IUPAC name of 4-(3-naphthalen-1-ylthiophen-2-yl)-N-[4-(3-naphthalen-1-ylthiophen-2-yl)phenyl]aniline?
The IUPAC name of 4-(3-naphthalen-1-ylthiophen-2-yl)-N-[4-(3-naphthalen-1-ylthiophen-2-yl)phenyl]aniline (CID 175189327) is 4-(3-naphthalen-1-ylthiophen-2-yl)-N-[4-(3-naphthalen-1-ylthiophen-2-yl)phenyl]aniline.
What is the SMILES notation for 4-(3-naphthalen-1-ylthiophen-2-yl)-N-[4-(3-naphthalen-1-ylthiophen-2-yl)phenyl]aniline?
The canonical SMILES for 4-(3-naphthalen-1-ylthiophen-2-yl)-N-[4-(3-naphthalen-1-ylthiophen-2-yl)phenyl]aniline is c1ccc2c(-c3ccsc3-c3ccc(Nc4ccc(-c5sccc5-c5cccc6ccccc56)cc4)cc3)cccc2c1.
What is the InChIKey of 4-(3-naphthalen-1-ylthiophen-2-yl)-N-[4-(3-naphthalen-1-ylthiophen-2-yl)phenyl]aniline?
The InChIKey is XXLGNYBUQQOQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NS2/c1-3-11-33-27(7-1)9-5-13-35(33)37-23-25-42-39(37)29-15-19-31(20-16-29)41-32-21-17-30(18-22-32)40-38(24-26-43-40)36-14-6-10-28-8-2-4-12-34(28)36/h1-26,41H.
What are the key properties of 4-(3-naphthalen-1-ylthiophen-2-yl)-N-[4-(3-naphthalen-1-ylthiophen-2-yl)phenyl]aniline?
4-(3-naphthalen-1-ylthiophen-2-yl)-N-[4-(3-naphthalen-1-ylthiophen-2-yl)phenyl]aniline has a molecular weight of 585.80 g/mol, XLogP of 12.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-naphthalen-1-ylthiophen-2-yl)-N-[4-(3-naphthalen-1-ylthiophen-2-yl)phenyl]aniline is sourced from PubChem (CID 175189327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).