2-[2,3,4,5,6-pentakis(3-aminothiophen-2-yl)phenyl]thiophen-3-amine

C30H24N6S6 — CID 18179309

IUPAC2-[2,3,4,5,6-pentakis(3-aminothiophen-2-yl)phenyl]thiophen-3-amine
SMILESNc1ccsc1-c1c(-c2sccc2N)c(-c2sccc2N)c(-c2sccc2N)c(-c2sccc2N)c1-c1sccc1N
InChIInChI=1S/C30H24N6S6/c31-13-1-7-37-25(13)19-20(26-14(32)2-8-38-26)22(28-16(34)4-10-40-28)24(30-18(36)6-12-42-30)23(29-17(35)5-11-41-29)21(19)27-15(33)3-9-39-27/h1-12H,31-36H2
InChIKeyXBKZSWPUVFRUPA-UHFFFAOYSA-N
MW660.97 g/mol
LogP9.55
Rot. Bonds6

About 2-[2,3,4,5,6-pentakis(3-aminothiophen-2-yl)phenyl]thiophen-3-amine

2-[2,3,4,5,6-pentakis(3-aminothiophen-2-yl)phenyl]thiophen-3-amine (PubChem CID 18179309) has the molecular formula C30H24N6S6 and a molecular weight of 660.97 g/mol. Its IUPAC name is 2-[2,3,4,5,6-pentakis(3-aminothiophen-2-yl)phenyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[2,3,4,5,6-pentakis(3-aminothiophen-2-yl)phenyl]thiophen-3-amine
PubChem CID18179309
Molecular FormulaC30H24N6S6
Molecular Weight660.97 g/mol
Exact Mass660.04
IUPAC Name2-[2,3,4,5,6-pentakis(3-aminothiophen-2-yl)phenyl]thiophen-3-amine
SMILESNc1ccsc1-c1c(-c2sccc2N)c(-c2sccc2N)c(-c2sccc2N)c(-c2sccc2N)c1-c1sccc1N
InChIInChI=1S/C30H24N6S6/c31-13-1-7-37-25(13)19-20(26-14(32)2-8-38-26)22(28-16(34)4-10-40-28)24(30-18(36)6-12-42-30)23(29-17(35)5-11-41-29)21(19)27-15(33)3-9-39-27/h1-12H,31-36H2
InChIKeyXBKZSWPUVFRUPA-UHFFFAOYSA-N
XLogP9.55
TPSA156.12 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500660.97
LogP ≤ 59.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3,4,5,6-pentakis(3-aminothiophen-2-yl)phenyl]thiophen-3-amine?
The IUPAC name of 2-[2,3,4,5,6-pentakis(3-aminothiophen-2-yl)phenyl]thiophen-3-amine (CID 18179309) is 2-[2,3,4,5,6-pentakis(3-aminothiophen-2-yl)phenyl]thiophen-3-amine.
What is the SMILES notation for 2-[2,3,4,5,6-pentakis(3-aminothiophen-2-yl)phenyl]thiophen-3-amine?
The canonical SMILES for 2-[2,3,4,5,6-pentakis(3-aminothiophen-2-yl)phenyl]thiophen-3-amine is Nc1ccsc1-c1c(-c2sccc2N)c(-c2sccc2N)c(-c2sccc2N)c(-c2sccc2N)c1-c1sccc1N.
What is the InChIKey of 2-[2,3,4,5,6-pentakis(3-aminothiophen-2-yl)phenyl]thiophen-3-amine?
The InChIKey is XBKZSWPUVFRUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6S6/c31-13-1-7-37-25(13)19-20(26-14(32)2-8-38-26)22(28-16(34)4-10-40-28)24(30-18(36)6-12-42-30)23(29-17(35)5-11-41-29)21(19)27-15(33)3-9-39-27/h1-12H,31-36H2.
What are the key properties of 2-[2,3,4,5,6-pentakis(3-aminothiophen-2-yl)phenyl]thiophen-3-amine?
2-[2,3,4,5,6-pentakis(3-aminothiophen-2-yl)phenyl]thiophen-3-amine has a molecular weight of 660.97 g/mol, XLogP of 9.55, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,4,5,6-pentakis(3-aminothiophen-2-yl)phenyl]thiophen-3-amine is sourced from PubChem (CID 18179309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).