2,3-dithiophen-2-yl-1H-pyrrole;9H-fluorene

C25H19NS2 — CID 175152597

IUPAC2,3-dithiophen-2-yl-1H-pyrrole;9H-fluorene
SMILESc1ccc2c(c1)Cc1ccccc1-2.c1csc(-c2cc[nH]c2-c2cccs2)c1
InChIInChI=1S/C13H10.C12H9NS2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-10(14-7-1)9-5-6-13-12(9)11-4-2-8-15-11/h1-8H,9H2;1-8,13H
InChIKeyTVNHOFVLGLHXQQ-UHFFFAOYSA-N
MW397.57 g/mol
LogP7.73
Rot. Bonds2

About 2,3-dithiophen-2-yl-1H-pyrrole;9H-fluorene

2,3-dithiophen-2-yl-1H-pyrrole;9H-fluorene (PubChem CID 175152597) has the molecular formula C25H19NS2 and a molecular weight of 397.57 g/mol. Its IUPAC name is 2,3-dithiophen-2-yl-1H-pyrrole;9H-fluorene.

Molecular Properties

Compound Name2,3-dithiophen-2-yl-1H-pyrrole;9H-fluorene
PubChem CID175152597
Molecular FormulaC25H19NS2
Molecular Weight397.57 g/mol
Exact Mass397.10
IUPAC Name2,3-dithiophen-2-yl-1H-pyrrole;9H-fluorene
SMILESc1ccc2c(c1)Cc1ccccc1-2.c1csc(-c2cc[nH]c2-c2cccs2)c1
InChIInChI=1S/C13H10.C12H9NS2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-10(14-7-1)9-5-6-13-12(9)11-4-2-8-15-11/h1-8H,9H2;1-8,13H
InChIKeyTVNHOFVLGLHXQQ-UHFFFAOYSA-N
XLogP7.73
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.57
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 155668339
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azane;hexakis(9H-fluorene)
CID 158472914
9H-fluorene;trihydrofluoride
CID 172854917
chromium;9H-fluorene
CID 161167703
9H-fluorene;sulfane;hydrate
CID 159057499
azane;9H-fluorene;hydrobromide
CID 174352852
ethene;9H-fluorene
CID 159544077
CID 161072106
CID 161072106
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
2-(1H-pyrrol-2-yl)phenol;2-thiophen-2-ylphenol
CID 157345789
9H-fluorene;oxophosphane
CID 174601741

Frequently Asked Questions

What is the IUPAC name of 2,3-dithiophen-2-yl-1H-pyrrole;9H-fluorene?
The IUPAC name of 2,3-dithiophen-2-yl-1H-pyrrole;9H-fluorene (CID 175152597) is 2,3-dithiophen-2-yl-1H-pyrrole;9H-fluorene.
What is the SMILES notation for 2,3-dithiophen-2-yl-1H-pyrrole;9H-fluorene?
The canonical SMILES for 2,3-dithiophen-2-yl-1H-pyrrole;9H-fluorene is c1ccc2c(c1)Cc1ccccc1-2.c1csc(-c2cc[nH]c2-c2cccs2)c1.
What is the InChIKey of 2,3-dithiophen-2-yl-1H-pyrrole;9H-fluorene?
The InChIKey is TVNHOFVLGLHXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C12H9NS2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-10(14-7-1)9-5-6-13-12(9)11-4-2-8-15-11/h1-8H,9H2;1-8,13H.
What are the key properties of 2,3-dithiophen-2-yl-1H-pyrrole;9H-fluorene?
2,3-dithiophen-2-yl-1H-pyrrole;9H-fluorene has a molecular weight of 397.57 g/mol, XLogP of 7.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dithiophen-2-yl-1H-pyrrole;9H-fluorene is sourced from PubChem (CID 175152597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).