1,3-bis[2,6-di(propan-2-yl)phenyl]-2-fluoro-4-methyl-6-methylidene-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-diazasiline

C35H40F6N2Si — CID 135053496

IUPAC1,3-bis[2,6-di(propan-2-yl)phenyl]-2-fluoro-4-methyl-6-methylidene-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-diazasiline
SMILESC=C1C=C(C)N(c2c(C(C)C)cccc2C(C)C)[Si](F)(c2c(F)c(F)c(F)c(F)c2F)N1c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C35H40F6N2Si/c1-18(2)24-13-11-14-25(19(3)4)33(24)42-22(9)17-23(10)43(34-26(20(5)6)15-12-16-27(34)21(7)8)44(42,41)35-31(39)29(37)28(36)30(38)32(35)40/h11-21H,9H2,1-8,10H3
InChIKeyDOJSSOSFOZTPLT-UHFFFAOYSA-N
MW630.79 g/mol
LogP10.44
Rot. Bonds7

About 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-fluoro-4-methyl-6-methylidene-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-diazasiline

1,3-bis[2,6-di(propan-2-yl)phenyl]-2-fluoro-4-methyl-6-methylidene-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-diazasiline (PubChem CID 135053496) has the molecular formula C35H40F6N2Si and a molecular weight of 630.79 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-fluoro-4-methyl-6-methylidene-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-diazasiline.

Molecular Properties

Compound Name1,3-bis[2,6-di(propan-2-yl)phenyl]-2-fluoro-4-methyl-6-methylidene-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-diazasiline
PubChem CID135053496
Molecular FormulaC35H40F6N2Si
Molecular Weight630.79 g/mol
Exact Mass630.29
IUPAC Name1,3-bis[2,6-di(propan-2-yl)phenyl]-2-fluoro-4-methyl-6-methylidene-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-diazasiline
SMILESC=C1C=C(C)N(c2c(C(C)C)cccc2C(C)C)[Si](F)(c2c(F)c(F)c(F)c(F)c2F)N1c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C35H40F6N2Si/c1-18(2)24-13-11-14-25(19(3)4)33(24)42-22(9)17-23(10)43(34-26(20(5)6)15-12-16-27(34)21(7)8)44(42,41)35-31(39)29(37)28(36)30(38)32(35)40/h11-21H,9H2,1-8,10H3
InChIKeyDOJSSOSFOZTPLT-UHFFFAOYSA-N
XLogP10.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.79
LogP ≤ 510.44
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-fluoro-4-methyl-6-methylidene-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-diazasiline?
The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-fluoro-4-methyl-6-methylidene-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-diazasiline (CID 135053496) is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-fluoro-4-methyl-6-methylidene-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-diazasiline.
What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-fluoro-4-methyl-6-methylidene-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-diazasiline?
The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-fluoro-4-methyl-6-methylidene-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-diazasiline is C=C1C=C(C)N(c2c(C(C)C)cccc2C(C)C)[Si](F)(c2c(F)c(F)c(F)c(F)c2F)N1c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-fluoro-4-methyl-6-methylidene-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-diazasiline?
The InChIKey is DOJSSOSFOZTPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40F6N2Si/c1-18(2)24-13-11-14-25(19(3)4)33(24)42-22(9)17-23(10)43(34-26(20(5)6)15-12-16-27(34)21(7)8)44(42,41)35-31(39)29(37)28(36)30(38)32(35)40/h11-21H,9H2,1-8,10H3.
What are the key properties of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-fluoro-4-methyl-6-methylidene-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-diazasiline?
1,3-bis[2,6-di(propan-2-yl)phenyl]-2-fluoro-4-methyl-6-methylidene-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-diazasiline has a molecular weight of 630.79 g/mol, XLogP of 10.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-fluoro-4-methyl-6-methylidene-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-diazasiline is sourced from PubChem (CID 135053496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).