2,5-bis(4-carbazol-9-ylphenyl)thiophene 1,1-dioxide

C40H26N2O2S — CID 148909882

IUPAC2,5-bis(4-carbazol-9-ylphenyl)thiophene 1,1-dioxide
SMILESO=S1(=O)C(c2ccc(-n3c4ccccc4c4ccccc43)cc2)=CC=C1c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C40H26N2O2S/c43-45(44)39(27-17-21-29(22-18-27)41-35-13-5-1-9-31(35)32-10-2-6-14-36(32)41)25-26-40(45)28-19-23-30(24-20-28)42-37-15-7-3-11-33(37)34-12-4-8-16-38(34)42/h1-26H
InChIKeyPIKNPQBAXQNARF-UHFFFAOYSA-N
MW598.73 g/mol
LogP9.69
Rot. Bonds4

About 2,5-bis(4-carbazol-9-ylphenyl)thiophene 1,1-dioxide

2,5-bis(4-carbazol-9-ylphenyl)thiophene 1,1-dioxide (PubChem CID 148909882) has the molecular formula C40H26N2O2S and a molecular weight of 598.73 g/mol. Its IUPAC name is 2,5-bis(4-carbazol-9-ylphenyl)thiophene 1,1-dioxide.

Molecular Properties

Compound Name2,5-bis(4-carbazol-9-ylphenyl)thiophene 1,1-dioxide
PubChem CID148909882
Molecular FormulaC40H26N2O2S
Molecular Weight598.73 g/mol
Exact Mass598.17
IUPAC Name2,5-bis(4-carbazol-9-ylphenyl)thiophene 1,1-dioxide
SMILESO=S1(=O)C(c2ccc(-n3c4ccccc4c4ccccc43)cc2)=CC=C1c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C40H26N2O2S/c43-45(44)39(27-17-21-29(22-18-27)41-35-13-5-1-9-31(35)32-10-2-6-14-36(32)41)25-26-40(45)28-19-23-30(24-20-28)42-37-15-7-3-11-33(37)34-12-4-8-16-38(34)42/h1-26H
InChIKeyPIKNPQBAXQNARF-UHFFFAOYSA-N
XLogP9.69
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.73
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58971557
2-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 118335077
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole
CID 58939501
9-[4-[2-bis[2-(4-carbazol-9-ylphenyl)phenyl]phosphorylphenyl]phenyl]carbazole
CID 58251526
5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one
CID 86007842
9-[4-[6-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenyl]carbazole
CID 58971525
tetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane
CID 102286078
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-carbazol-9-ylphenyl)thiophene 1,1-dioxide?
The IUPAC name of 2,5-bis(4-carbazol-9-ylphenyl)thiophene 1,1-dioxide (CID 148909882) is 2,5-bis(4-carbazol-9-ylphenyl)thiophene 1,1-dioxide.
What is the SMILES notation for 2,5-bis(4-carbazol-9-ylphenyl)thiophene 1,1-dioxide?
The canonical SMILES for 2,5-bis(4-carbazol-9-ylphenyl)thiophene 1,1-dioxide is O=S1(=O)C(c2ccc(-n3c4ccccc4c4ccccc43)cc2)=CC=C1c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 2,5-bis(4-carbazol-9-ylphenyl)thiophene 1,1-dioxide?
The InChIKey is PIKNPQBAXQNARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2O2S/c43-45(44)39(27-17-21-29(22-18-27)41-35-13-5-1-9-31(35)32-10-2-6-14-36(32)41)25-26-40(45)28-19-23-30(24-20-28)42-37-15-7-3-11-33(37)34-12-4-8-16-38(34)42/h1-26H.
What are the key properties of 2,5-bis(4-carbazol-9-ylphenyl)thiophene 1,1-dioxide?
2,5-bis(4-carbazol-9-ylphenyl)thiophene 1,1-dioxide has a molecular weight of 598.73 g/mol, XLogP of 9.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-carbazol-9-ylphenyl)thiophene 1,1-dioxide is sourced from PubChem (CID 148909882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).