4-carbazol-9-yl-2-(4-carbazol-9-yl-3-hydroxythiophen-2-yl)thiophen-3-ol

C32H20N2O2S2 — CID 153493785

IUPAC4-carbazol-9-yl-2-(4-carbazol-9-yl-3-hydroxythiophen-2-yl)thiophen-3-ol
SMILESOc1c(-n2c3ccccc3c3ccccc32)csc1-c1scc(-n2c3ccccc3c3ccccc32)c1O
InChIInChI=1S/C32H20N2O2S2/c35-29-27(33-23-13-5-1-9-19(23)20-10-2-6-14-24(20)33)17-37-31(29)32-30(36)28(18-38-32)34-25-15-7-3-11-21(25)22-12-4-8-16-26(22)34/h1-18,35-36H
InChIKeyUPIQFOGCNLBVBG-UHFFFAOYSA-N
MW528.66 g/mol
LogP9.08
Rot. Bonds3

About 4-carbazol-9-yl-2-(4-carbazol-9-yl-3-hydroxythiophen-2-yl)thiophen-3-ol

4-carbazol-9-yl-2-(4-carbazol-9-yl-3-hydroxythiophen-2-yl)thiophen-3-ol (PubChem CID 153493785) has the molecular formula C32H20N2O2S2 and a molecular weight of 528.66 g/mol. Its IUPAC name is 4-carbazol-9-yl-2-(4-carbazol-9-yl-3-hydroxythiophen-2-yl)thiophen-3-ol.

Molecular Properties

Compound Name4-carbazol-9-yl-2-(4-carbazol-9-yl-3-hydroxythiophen-2-yl)thiophen-3-ol
PubChem CID153493785
Molecular FormulaC32H20N2O2S2
Molecular Weight528.66 g/mol
Exact Mass528.10
IUPAC Name4-carbazol-9-yl-2-(4-carbazol-9-yl-3-hydroxythiophen-2-yl)thiophen-3-ol
SMILESOc1c(-n2c3ccccc3c3ccccc32)csc1-c1scc(-n2c3ccccc3c3ccccc32)c1O
InChIInChI=1S/C32H20N2O2S2/c35-29-27(33-23-13-5-1-9-19(23)20-10-2-6-14-24(20)33)17-37-31(29)32-30(36)28(18-38-32)34-25-15-7-3-11-21(25)22-12-4-8-16-26(22)34/h1-18,35-36H
InChIKeyUPIQFOGCNLBVBG-UHFFFAOYSA-N
XLogP9.08
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.66
LogP ≤ 59.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
9-[2-[(2-carbazol-9-ylphenyl)methyl]phenyl]carbazole
CID 145345322
4-(2-methylphenyl)thieno[3,4-b]indole
CID 132503643
methyl 3-carbazol-9-ylthiophene-2-carboxylate
CID 70982066
9-[5-[2-[3-[2-[4-carbazol-9-yl-3-(ethoxymethoxy)thiophen-2-yl]phenoxy]propoxy]phenyl]-4-ethoxythiophen-3-yl]carbazole
CID 153493774
9-[2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole
CID 122400298
9-thiophen-3-ylcarbazole
CID 101439489
2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methylamino]methyl]-4-methylphenol
CID 160943850
CID 175082744
CID 175082744
9-(9-carbazol-9-ylpyren-4-yl)carbazole
CID 174313049
9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole
CID 135136219
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-2-(4-carbazol-9-yl-3-hydroxythiophen-2-yl)thiophen-3-ol?
The IUPAC name of 4-carbazol-9-yl-2-(4-carbazol-9-yl-3-hydroxythiophen-2-yl)thiophen-3-ol (CID 153493785) is 4-carbazol-9-yl-2-(4-carbazol-9-yl-3-hydroxythiophen-2-yl)thiophen-3-ol.
What is the SMILES notation for 4-carbazol-9-yl-2-(4-carbazol-9-yl-3-hydroxythiophen-2-yl)thiophen-3-ol?
The canonical SMILES for 4-carbazol-9-yl-2-(4-carbazol-9-yl-3-hydroxythiophen-2-yl)thiophen-3-ol is Oc1c(-n2c3ccccc3c3ccccc32)csc1-c1scc(-n2c3ccccc3c3ccccc32)c1O.
What is the InChIKey of 4-carbazol-9-yl-2-(4-carbazol-9-yl-3-hydroxythiophen-2-yl)thiophen-3-ol?
The InChIKey is UPIQFOGCNLBVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2O2S2/c35-29-27(33-23-13-5-1-9-19(23)20-10-2-6-14-24(20)33)17-37-31(29)32-30(36)28(18-38-32)34-25-15-7-3-11-21(25)22-12-4-8-16-26(22)34/h1-18,35-36H.
What are the key properties of 4-carbazol-9-yl-2-(4-carbazol-9-yl-3-hydroxythiophen-2-yl)thiophen-3-ol?
4-carbazol-9-yl-2-(4-carbazol-9-yl-3-hydroxythiophen-2-yl)thiophen-3-ol has a molecular weight of 528.66 g/mol, XLogP of 9.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-2-(4-carbazol-9-yl-3-hydroxythiophen-2-yl)thiophen-3-ol is sourced from PubChem (CID 153493785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).