2,8-bis[3-amino-5-(3-aminothiophen-2-yl)thiophen-2-yl]indeno[1,2-b]fluorene-6,12-dione

C36H22N4O2S4 — CID 163426872

IUPAC2,8-bis[3-amino-5-(3-aminothiophen-2-yl)thiophen-2-yl]indeno[1,2-b]fluorene-6,12-dione
SMILESNc1cc(-c2sccc2N)sc1-c1ccc2c(c1)c(=O)c1cc3c(cc12)c(=O)c1cc(-c2sc(-c4sccc4N)cc2N)ccc13
InChIInChI=1S/C36H22N4O2S4/c37-25-5-7-43-35(25)29-13-27(39)33(45-29)15-1-3-17-19-11-24-20(12-23(19)31(41)21(17)9-15)18-4-2-16(10-22(18)32(24)42)34-28(40)14-30(46-34)36-26(38)6-8-44-36/h1-14H,37-40H2
InChIKeyANHDZGLDBCOYCW-UHFFFAOYSA-N
MW670.87 g/mol
LogP9.14
Rot. Bonds4

About 2,8-bis[3-amino-5-(3-aminothiophen-2-yl)thiophen-2-yl]indeno[1,2-b]fluorene-6,12-dione

2,8-bis[3-amino-5-(3-aminothiophen-2-yl)thiophen-2-yl]indeno[1,2-b]fluorene-6,12-dione (PubChem CID 163426872) has the molecular formula C36H22N4O2S4 and a molecular weight of 670.87 g/mol. Its IUPAC name is 2,8-bis[3-amino-5-(3-aminothiophen-2-yl)thiophen-2-yl]indeno[1,2-b]fluorene-6,12-dione.

Molecular Properties

Compound Name2,8-bis[3-amino-5-(3-aminothiophen-2-yl)thiophen-2-yl]indeno[1,2-b]fluorene-6,12-dione
PubChem CID163426872
Molecular FormulaC36H22N4O2S4
Molecular Weight670.87 g/mol
Exact Mass670.06
IUPAC Name2,8-bis[3-amino-5-(3-aminothiophen-2-yl)thiophen-2-yl]indeno[1,2-b]fluorene-6,12-dione
SMILESNc1cc(-c2sccc2N)sc1-c1ccc2c(c1)c(=O)c1cc3c(cc12)c(=O)c1cc(-c2sc(-c4sccc4N)cc2N)ccc13
InChIInChI=1S/C36H22N4O2S4/c37-25-5-7-43-35(25)29-13-27(39)33(45-29)15-1-3-17-19-11-24-20(12-23(19)31(41)21(17)9-15)18-4-2-16(10-22(18)32(24)42)34-28(40)14-30(46-34)36-26(38)6-8-44-36/h1-14H,37-40H2
InChIKeyANHDZGLDBCOYCW-UHFFFAOYSA-N
XLogP9.14
TPSA138.22 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.87
LogP ≤ 59.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2,8-bis[3-amino-5-(3-aminothiophen-2-yl)thiophen-2-yl]indeno[1,2-b]fluorene-6,12-dione with MolForge

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Related Compounds

5-(3-aminothiophen-2-yl)benzene-1,3-diamine
CID 154128750
2-[2,3,4,5,6-pentakis(3-aminothiophen-2-yl)phenyl]thiophen-3-amine
CID 18179309
1-[4-[4-(3-aminothiophen-2-yl)phenyl]phenyl]ethanone
CID 69253925
5-(1,2,3-trioxoinden-5-yl)indene-1,2,3-trione
CID 58805602
2-(furan-2-yl)thiophen-3-amine
CID 131490836
2-(4-methylphenyl)-8-[4-(trifluoromethyl)phenyl]indeno[2,1-b]fluorene-10,12-dione
CID 58518204
2-(6-methyl-3-pyridinyl)thiophen-3-amine
CID 82403843
3-amino-5-(3-methoxythiophen-2-yl)thiophene-2-carboxylic acid
CID 83034669
4-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]aniline
CID 142697064
ethyl 3-amino-5-(3-ethylthiophen-2-yl)thiophene-2-carboxylate
CID 79976064
tert-butyl 3-amino-5-(3-methylthiophen-2-yl)thiophene-2-carboxylate
CID 116687089
2-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole
CID 121297684

Frequently Asked Questions

What is the IUPAC name of 2,8-bis[3-amino-5-(3-aminothiophen-2-yl)thiophen-2-yl]indeno[1,2-b]fluorene-6,12-dione?
The IUPAC name of 2,8-bis[3-amino-5-(3-aminothiophen-2-yl)thiophen-2-yl]indeno[1,2-b]fluorene-6,12-dione (CID 163426872) is 2,8-bis[3-amino-5-(3-aminothiophen-2-yl)thiophen-2-yl]indeno[1,2-b]fluorene-6,12-dione.
What is the SMILES notation for 2,8-bis[3-amino-5-(3-aminothiophen-2-yl)thiophen-2-yl]indeno[1,2-b]fluorene-6,12-dione?
The canonical SMILES for 2,8-bis[3-amino-5-(3-aminothiophen-2-yl)thiophen-2-yl]indeno[1,2-b]fluorene-6,12-dione is Nc1cc(-c2sccc2N)sc1-c1ccc2c(c1)c(=O)c1cc3c(cc12)c(=O)c1cc(-c2sc(-c4sccc4N)cc2N)ccc13.
What is the InChIKey of 2,8-bis[3-amino-5-(3-aminothiophen-2-yl)thiophen-2-yl]indeno[1,2-b]fluorene-6,12-dione?
The InChIKey is ANHDZGLDBCOYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4O2S4/c37-25-5-7-43-35(25)29-13-27(39)33(45-29)15-1-3-17-19-11-24-20(12-23(19)31(41)21(17)9-15)18-4-2-16(10-22(18)32(24)42)34-28(40)14-30(46-34)36-26(38)6-8-44-36/h1-14H,37-40H2.
What are the key properties of 2,8-bis[3-amino-5-(3-aminothiophen-2-yl)thiophen-2-yl]indeno[1,2-b]fluorene-6,12-dione?
2,8-bis[3-amino-5-(3-aminothiophen-2-yl)thiophen-2-yl]indeno[1,2-b]fluorene-6,12-dione has a molecular weight of 670.87 g/mol, XLogP of 9.14, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis[3-amino-5-(3-aminothiophen-2-yl)thiophen-2-yl]indeno[1,2-b]fluorene-6,12-dione is sourced from PubChem (CID 163426872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).