carbonic acid;2,3,4,5-tetraphenylthiophene

C30H24O6S — CID 23188696

IUPACcarbonic acid;2,3,4,5-tetraphenylthiophene
SMILESO=C(O)O.O=C(O)O.c1ccc(-c2sc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C28H20S.2CH2O3/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)29-27(25)23-17-9-3-10-18-23;2*2-1(3)4/h1-20H;2*(H2,2,3,4)
InChIKeyZFWUSFBSKUYLIR-UHFFFAOYSA-N
MW512.58 g/mol
LogP8.86
Rot. Bonds4

About carbonic acid;2,3,4,5-tetraphenylthiophene

carbonic acid;2,3,4,5-tetraphenylthiophene (PubChem CID 23188696) has the molecular formula C30H24O6S and a molecular weight of 512.58 g/mol. Its IUPAC name is carbonic acid;2,3,4,5-tetraphenylthiophene.

Molecular Properties

Compound Namecarbonic acid;2,3,4,5-tetraphenylthiophene
PubChem CID23188696
Molecular FormulaC30H24O6S
Molecular Weight512.58 g/mol
Exact Mass512.13
IUPAC Namecarbonic acid;2,3,4,5-tetraphenylthiophene
SMILESO=C(O)O.O=C(O)O.c1ccc(-c2sc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C28H20S.2CH2O3/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)29-27(25)23-17-9-3-10-18-23;2*2-1(3)4/h1-20H;2*(H2,2,3,4)
InChIKeyZFWUSFBSKUYLIR-UHFFFAOYSA-N
XLogP8.86
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.58
LogP ≤ 58.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 139964410
3,4,5-triphenylthiophene-2-thiol
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CID 14876632
2,3-diphenyl-4,5-dithiophen-2-ylthiophene
CID 67533683
4,5,6-triphenylbenzene-1,2,3-tricarboxylic acid
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4-[5-(4-bromophenyl)-3,4-diphenylthiophen-2-yl]-N,N-diphenylaniline
CID 139970614
4,6,10,12-tetraphenyl-2,5,8,11-tetrathiatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
CID 177405834
5-butyl-1,3-diphenylthieno[3,4-c]pyrrole-4,6-dione
CID 102432668
3,7-diphenyl-2,6-bis(4-phenylphenyl)thieno[2,3-f][1]benzothiole
CID 126653606
4-[2,5,6-tris(4-carboxyphenyl)thieno[3,2-b]thiophen-3-yl]benzoic acid
CID 170899498
2,5-dinaphthalen-1-yl-3,4-diphenylthiophene
CID 23626359
2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
CID 15625929

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2,3,4,5-tetraphenylthiophene?
The IUPAC name of carbonic acid;2,3,4,5-tetraphenylthiophene (CID 23188696) is carbonic acid;2,3,4,5-tetraphenylthiophene.
What is the SMILES notation for carbonic acid;2,3,4,5-tetraphenylthiophene?
The canonical SMILES for carbonic acid;2,3,4,5-tetraphenylthiophene is O=C(O)O.O=C(O)O.c1ccc(-c2sc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of carbonic acid;2,3,4,5-tetraphenylthiophene?
The InChIKey is ZFWUSFBSKUYLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20S.2CH2O3/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)29-27(25)23-17-9-3-10-18-23;2*2-1(3)4/h1-20H;2*(H2,2,3,4).
What are the key properties of carbonic acid;2,3,4,5-tetraphenylthiophene?
carbonic acid;2,3,4,5-tetraphenylthiophene has a molecular weight of 512.58 g/mol, XLogP of 8.86, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2,3,4,5-tetraphenylthiophene is sourced from PubChem (CID 23188696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).