1,3,6,8-tetrathiophen-2-ylpyrene-2,7-diol

C32H18O2S4 — CID 163210788

IUPAC1,3,6,8-tetrathiophen-2-ylpyrene-2,7-diol
SMILESOc1c(-c2cccs2)c2ccc3c(-c4cccs4)c(O)c(-c4cccs4)c4ccc(c1-c1cccs1)c2c34
InChIInChI=1S/C32H18O2S4/c33-31-27(21-5-1-13-35-21)17-9-10-19-26-20(12-11-18(25(17)26)28(31)22-6-2-14-36-22)30(24-8-4-16-38-24)32(34)29(19)23-7-3-15-37-23/h1-16,33-34H
InChIKeyAEZIKKSHMNWYND-UHFFFAOYSA-N
MW562.76 g/mol
LogP10.91
Rot. Bonds4

About 1,3,6,8-tetrathiophen-2-ylpyrene-2,7-diol

1,3,6,8-tetrathiophen-2-ylpyrene-2,7-diol (PubChem CID 163210788) has the molecular formula C32H18O2S4 and a molecular weight of 562.76 g/mol. Its IUPAC name is 1,3,6,8-tetrathiophen-2-ylpyrene-2,7-diol.

Molecular Properties

Compound Name1,3,6,8-tetrathiophen-2-ylpyrene-2,7-diol
PubChem CID163210788
Molecular FormulaC32H18O2S4
Molecular Weight562.76 g/mol
Exact Mass562.02
IUPAC Name1,3,6,8-tetrathiophen-2-ylpyrene-2,7-diol
SMILESOc1c(-c2cccs2)c2ccc3c(-c4cccs4)c(O)c(-c4cccs4)c4ccc(c1-c1cccs1)c2c34
InChIInChI=1S/C32H18O2S4/c33-31-27(21-5-1-13-35-21)17-9-10-19-26-20(12-11-18(25(17)26)28(31)22-6-2-14-36-22)30(24-8-4-16-38-24)32(34)29(19)23-7-3-15-37-23/h1-16,33-34H
InChIKeyAEZIKKSHMNWYND-UHFFFAOYSA-N
XLogP10.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.76
LogP ≤ 510.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3,6-dithiophen-2-ylbenzene-1,2-diol
CID 122606222
2-(2,6-dimethylphenyl)thiophene
CID 58838883
2-thiophen-2-ylbenzene-1,3-diamine
CID 69383856
3-(2-hydroxyphenyl)-4-thiophen-2-ylnaphthalen-1-ol
CID 102482810
(9,10-dithiophen-2-ylanthracen-2-yl)boronic acid
CID 175540732
2-(1,2,3-trithiophen-2-ylpyren-4-yl)thiophene
CID 87695295
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
dimethyl 3,4-dithiophen-2-yl-1H-pyrrole-2,5-dicarboxylate
CID 102258239
thiophene;2-thiophen-2-ylthiophene
CID 158809122
7-chloro-4-hydroxy-3-thiophen-2-yl-1H-1,5-naphthyridin-2-one
CID 54730141
4-thiophen-2-ylthiophen-2-ol
CID 154302711
thiophen-2-ol
CID 10909502

Frequently Asked Questions

What is the IUPAC name of 1,3,6,8-tetrathiophen-2-ylpyrene-2,7-diol?
The IUPAC name of 1,3,6,8-tetrathiophen-2-ylpyrene-2,7-diol (CID 163210788) is 1,3,6,8-tetrathiophen-2-ylpyrene-2,7-diol.
What is the SMILES notation for 1,3,6,8-tetrathiophen-2-ylpyrene-2,7-diol?
The canonical SMILES for 1,3,6,8-tetrathiophen-2-ylpyrene-2,7-diol is Oc1c(-c2cccs2)c2ccc3c(-c4cccs4)c(O)c(-c4cccs4)c4ccc(c1-c1cccs1)c2c34.
What is the InChIKey of 1,3,6,8-tetrathiophen-2-ylpyrene-2,7-diol?
The InChIKey is AEZIKKSHMNWYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18O2S4/c33-31-27(21-5-1-13-35-21)17-9-10-19-26-20(12-11-18(25(17)26)28(31)22-6-2-14-36-22)30(24-8-4-16-38-24)32(34)29(19)23-7-3-15-37-23/h1-16,33-34H.
What are the key properties of 1,3,6,8-tetrathiophen-2-ylpyrene-2,7-diol?
1,3,6,8-tetrathiophen-2-ylpyrene-2,7-diol has a molecular weight of 562.76 g/mol, XLogP of 10.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,8-tetrathiophen-2-ylpyrene-2,7-diol is sourced from PubChem (CID 163210788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).