4-carbazol-9-yl-6-phenylpyrimidine-2-sulfinic acid

C22H15N3O2S — CID 170902264

IUPAC4-carbazol-9-yl-6-phenylpyrimidine-2-sulfinic acid
SMILESO=S(O)c1nc(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C22H15N3O2S/c26-28(27)22-23-18(15-8-2-1-3-9-15)14-21(24-22)25-19-12-6-4-10-16(19)17-11-5-7-13-20(17)25/h1-14H,(H,26,27)
InChIKeyWMNREWLACQIYDV-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.82
Rot. Bonds3

About 4-carbazol-9-yl-6-phenylpyrimidine-2-sulfinic acid

4-carbazol-9-yl-6-phenylpyrimidine-2-sulfinic acid (PubChem CID 170902264) has the molecular formula C22H15N3O2S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-carbazol-9-yl-6-phenylpyrimidine-2-sulfinic acid.

Molecular Properties

Compound Name4-carbazol-9-yl-6-phenylpyrimidine-2-sulfinic acid
PubChem CID170902264
Molecular FormulaC22H15N3O2S
Molecular Weight385.45 g/mol
Exact Mass385.09
IUPAC Name4-carbazol-9-yl-6-phenylpyrimidine-2-sulfinic acid
SMILESO=S(O)c1nc(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C22H15N3O2S/c26-28(27)22-23-18(15-8-2-1-3-9-15)14-21(24-22)25-19-12-6-4-10-16(19)17-11-5-7-13-20(17)25/h1-14H,(H,26,27)
InChIKeyWMNREWLACQIYDV-UHFFFAOYSA-N
XLogP4.82
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-(2-methyl-6-phenylpyrimidin-4-yl)carbazole
CID 145299185
9-[2-carbazol-9-yl-6-[4-[3-[4-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]carbazole
CID 58943683
3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 146572869
[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]boronic acid
CID 140873197
9-[2-carbazol-9-yl-6-[3-[3-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-phenylphenyl]phenyl]pyrimidin-4-yl]carbazole
CID 58943440
9-[2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-phenylpyrimidin-4-yl]carbazole
CID 145299212
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole
CID 134168850
[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]boronic acid
CID 140890322
9-[6-[2-[4-(6-carbazol-9-yl-2-pyridinyl)-6-phenylpyrimidin-2-yl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]carbazole
CID 59500751
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-b]carbazole
CID 158545960
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylgermane
CID 170681775
9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 146379780

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-6-phenylpyrimidine-2-sulfinic acid?
The IUPAC name of 4-carbazol-9-yl-6-phenylpyrimidine-2-sulfinic acid (CID 170902264) is 4-carbazol-9-yl-6-phenylpyrimidine-2-sulfinic acid.
What is the SMILES notation for 4-carbazol-9-yl-6-phenylpyrimidine-2-sulfinic acid?
The canonical SMILES for 4-carbazol-9-yl-6-phenylpyrimidine-2-sulfinic acid is O=S(O)c1nc(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)n1.
What is the InChIKey of 4-carbazol-9-yl-6-phenylpyrimidine-2-sulfinic acid?
The InChIKey is WMNREWLACQIYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2S/c26-28(27)22-23-18(15-8-2-1-3-9-15)14-21(24-22)25-19-12-6-4-10-16(19)17-11-5-7-13-20(17)25/h1-14H,(H,26,27).
What are the key properties of 4-carbazol-9-yl-6-phenylpyrimidine-2-sulfinic acid?
4-carbazol-9-yl-6-phenylpyrimidine-2-sulfinic acid has a molecular weight of 385.45 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-6-phenylpyrimidine-2-sulfinic acid is sourced from PubChem (CID 170902264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).