9-methyl-2-(2,3,4,5,6-pentafluorophenyl)-1-trimethylsilylcarbazol-3-ol

C22H18F5NOSi — CID 122223290

IUPAC9-methyl-2-(2,3,4,5,6-pentafluorophenyl)-1-trimethylsilylcarbazol-3-ol
SMILESCn1c2ccccc2c2cc(O)c(-c3c(F)c(F)c(F)c(F)c3F)c([Si](C)(C)C)c21
InChIInChI=1S/C22H18F5NOSi/c1-28-12-8-6-5-7-10(12)11-9-13(29)14(22(21(11)28)30(2,3)4)15-16(23)18(25)20(27)19(26)17(15)24/h5-9,29H,1-4H3
InChIKeyIJHVDEYMRKBSQV-UHFFFAOYSA-N
MW435.47 g/mol
LogP5.94
Rot. Bonds2

About 9-methyl-2-(2,3,4,5,6-pentafluorophenyl)-1-trimethylsilylcarbazol-3-ol

9-methyl-2-(2,3,4,5,6-pentafluorophenyl)-1-trimethylsilylcarbazol-3-ol (PubChem CID 122223290) has the molecular formula C22H18F5NOSi and a molecular weight of 435.47 g/mol. Its IUPAC name is 9-methyl-2-(2,3,4,5,6-pentafluorophenyl)-1-trimethylsilylcarbazol-3-ol.

Molecular Properties

Compound Name9-methyl-2-(2,3,4,5,6-pentafluorophenyl)-1-trimethylsilylcarbazol-3-ol
PubChem CID122223290
Molecular FormulaC22H18F5NOSi
Molecular Weight435.47 g/mol
Exact Mass435.11
IUPAC Name9-methyl-2-(2,3,4,5,6-pentafluorophenyl)-1-trimethylsilylcarbazol-3-ol
SMILESCn1c2ccccc2c2cc(O)c(-c3c(F)c(F)c(F)c(F)c3F)c([Si](C)(C)C)c21
InChIInChI=1S/C22H18F5NOSi/c1-28-12-8-6-5-7-10(12)11-9-13(29)14(22(21(11)28)30(2,3)4)15-16(23)18(25)20(27)19(26)17(15)24/h5-9,29H,1-4H3
InChIKeyIJHVDEYMRKBSQV-UHFFFAOYSA-N
XLogP5.94
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.47
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-(2,3,4,5,6-pentafluorophenyl)-1-trimethylsilylcarbazol-3-ol?
The IUPAC name of 9-methyl-2-(2,3,4,5,6-pentafluorophenyl)-1-trimethylsilylcarbazol-3-ol (CID 122223290) is 9-methyl-2-(2,3,4,5,6-pentafluorophenyl)-1-trimethylsilylcarbazol-3-ol.
What is the SMILES notation for 9-methyl-2-(2,3,4,5,6-pentafluorophenyl)-1-trimethylsilylcarbazol-3-ol?
The canonical SMILES for 9-methyl-2-(2,3,4,5,6-pentafluorophenyl)-1-trimethylsilylcarbazol-3-ol is Cn1c2ccccc2c2cc(O)c(-c3c(F)c(F)c(F)c(F)c3F)c([Si](C)(C)C)c21.
What is the InChIKey of 9-methyl-2-(2,3,4,5,6-pentafluorophenyl)-1-trimethylsilylcarbazol-3-ol?
The InChIKey is IJHVDEYMRKBSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F5NOSi/c1-28-12-8-6-5-7-10(12)11-9-13(29)14(22(21(11)28)30(2,3)4)15-16(23)18(25)20(27)19(26)17(15)24/h5-9,29H,1-4H3.
What are the key properties of 9-methyl-2-(2,3,4,5,6-pentafluorophenyl)-1-trimethylsilylcarbazol-3-ol?
9-methyl-2-(2,3,4,5,6-pentafluorophenyl)-1-trimethylsilylcarbazol-3-ol has a molecular weight of 435.47 g/mol, XLogP of 5.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-(2,3,4,5,6-pentafluorophenyl)-1-trimethylsilylcarbazol-3-ol is sourced from PubChem (CID 122223290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).