[6-[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl]-9-(4-methoxyphenyl)carbazol-3-yl]-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane

C35H25F10NOSi2 — CID 58131195

IUPAC[6-[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl]-9-(4-methoxyphenyl)carbazol-3-yl]-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCOc1ccc(-n2c3ccc([Si](C)(C)c4c(F)c(F)c(F)c(F)c4F)cc3c3cc([Si](C)(C)c4c(F)c(F)c(F)c(F)c4F)ccc32)cc1
InChIInChI=1S/C35H25F10NOSi2/c1-47-17-8-6-16(7-9-17)46-22-12-10-18(48(2,3)34-30(42)26(38)24(36)27(39)31(34)43)14-20(22)21-15-19(11-13-23(21)46)49(4,5)35-32(44)28(40)25(37)29(41)33(35)45/h6-15H,1-5H3
InChIKeyLYDKOMDJYDRHDZ-UHFFFAOYSA-N
MW721.74 g/mol
LogP7.83
Rot. Bonds6

About [6-[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl]-9-(4-methoxyphenyl)carbazol-3-yl]-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane

[6-[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl]-9-(4-methoxyphenyl)carbazol-3-yl]-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 58131195) has the molecular formula C35H25F10NOSi2 and a molecular weight of 721.74 g/mol. Its IUPAC name is [6-[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl]-9-(4-methoxyphenyl)carbazol-3-yl]-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Name[6-[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl]-9-(4-methoxyphenyl)carbazol-3-yl]-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID58131195
Molecular FormulaC35H25F10NOSi2
Molecular Weight721.74 g/mol
Exact Mass721.13
IUPAC Name[6-[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl]-9-(4-methoxyphenyl)carbazol-3-yl]-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCOc1ccc(-n2c3ccc([Si](C)(C)c4c(F)c(F)c(F)c(F)c4F)cc3c3cc([Si](C)(C)c4c(F)c(F)c(F)c(F)c4F)ccc32)cc1
InChIInChI=1S/C35H25F10NOSi2/c1-47-17-8-6-16(7-9-17)46-22-12-10-18(48(2,3)34-30(42)26(38)24(36)27(39)31(34)43)14-20(22)21-15-19(11-13-23(21)46)49(4,5)35-32(44)28(40)25(37)29(41)33(35)45/h6-15H,1-5H3
InChIKeyLYDKOMDJYDRHDZ-UHFFFAOYSA-N
XLogP7.83
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.74
LogP ≤ 57.83
H-Bond Donors ≤ 50
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 [6-[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl]-9-(4-methoxyphenyl)carbazol-3-yl]-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of [6-[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl]-9-(4-methoxyphenyl)carbazol-3-yl]-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (CID 58131195) is [6-[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl]-9-(4-methoxyphenyl)carbazol-3-yl]-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for [6-[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl]-9-(4-methoxyphenyl)carbazol-3-yl]-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for [6-[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl]-9-(4-methoxyphenyl)carbazol-3-yl]-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is COc1ccc(-n2c3ccc([Si](C)(C)c4c(F)c(F)c(F)c(F)c4F)cc3c3cc([Si](C)(C)c4c(F)c(F)c(F)c(F)c4F)ccc32)cc1.
What is the InChIKey of [6-[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl]-9-(4-methoxyphenyl)carbazol-3-yl]-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is LYDKOMDJYDRHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25F10NOSi2/c1-47-17-8-6-16(7-9-17)46-22-12-10-18(48(2,3)34-30(42)26(38)24(36)27(39)31(34)43)14-20(22)21-15-19(11-13-23(21)46)49(4,5)35-32(44)28(40)25(37)29(41)33(35)45/h6-15H,1-5H3.
What are the key properties of [6-[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl]-9-(4-methoxyphenyl)carbazol-3-yl]-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
[6-[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl]-9-(4-methoxyphenyl)carbazol-3-yl]-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 721.74 g/mol, XLogP of 7.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl]-9-(4-methoxyphenyl)carbazol-3-yl]-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 58131195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).