1,1-dimethyl-2,5-bis(2,3,4,5,6-pentafluorophenyl)-3,4-diphenylsilole

C30H16F10Si — CID 54524917

IUPAC1,1-dimethyl-2,5-bis(2,3,4,5,6-pentafluorophenyl)-3,4-diphenylsilole
SMILESC[Si]1(C)C(c2c(F)c(F)c(F)c(F)c2F)=C(c2ccccc2)C(c2ccccc2)=C1c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C30H16F10Si/c1-41(2)29(17-19(31)23(35)27(39)24(36)20(17)32)15(13-9-5-3-6-10-13)16(14-11-7-4-8-12-14)30(41)18-21(33)25(37)28(40)26(38)22(18)34/h3-12H,1-2H3
InChIKeyYSLQPOCIGDHPFT-UHFFFAOYSA-N
MW594.52 g/mol
LogP9.40
Rot. Bonds4

About 1,1-dimethyl-2,5-bis(2,3,4,5,6-pentafluorophenyl)-3,4-diphenylsilole

1,1-dimethyl-2,5-bis(2,3,4,5,6-pentafluorophenyl)-3,4-diphenylsilole (PubChem CID 54524917) has the molecular formula C30H16F10Si and a molecular weight of 594.52 g/mol. Its IUPAC name is 1,1-dimethyl-2,5-bis(2,3,4,5,6-pentafluorophenyl)-3,4-diphenylsilole.

Molecular Properties

Compound Name1,1-dimethyl-2,5-bis(2,3,4,5,6-pentafluorophenyl)-3,4-diphenylsilole
PubChem CID54524917
Molecular FormulaC30H16F10Si
Molecular Weight594.52 g/mol
Exact Mass594.09
IUPAC Name1,1-dimethyl-2,5-bis(2,3,4,5,6-pentafluorophenyl)-3,4-diphenylsilole
SMILESC[Si]1(C)C(c2c(F)c(F)c(F)c(F)c2F)=C(c2ccccc2)C(c2ccccc2)=C1c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C30H16F10Si/c1-41(2)29(17-19(31)23(35)27(39)24(36)20(17)32)15(13-9-5-3-6-10-13)16(14-11-7-4-8-12-14)30(41)18-21(33)25(37)28(40)26(38)22(18)34/h3-12H,1-2H3
InChIKeyYSLQPOCIGDHPFT-UHFFFAOYSA-N
XLogP9.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.52
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2,5-bis(2,3,4,5,6-pentafluorophenyl)-3,4-diphenylsilole?
The IUPAC name of 1,1-dimethyl-2,5-bis(2,3,4,5,6-pentafluorophenyl)-3,4-diphenylsilole (CID 54524917) is 1,1-dimethyl-2,5-bis(2,3,4,5,6-pentafluorophenyl)-3,4-diphenylsilole.
What is the SMILES notation for 1,1-dimethyl-2,5-bis(2,3,4,5,6-pentafluorophenyl)-3,4-diphenylsilole?
The canonical SMILES for 1,1-dimethyl-2,5-bis(2,3,4,5,6-pentafluorophenyl)-3,4-diphenylsilole is C[Si]1(C)C(c2c(F)c(F)c(F)c(F)c2F)=C(c2ccccc2)C(c2ccccc2)=C1c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,1-dimethyl-2,5-bis(2,3,4,5,6-pentafluorophenyl)-3,4-diphenylsilole?
The InChIKey is YSLQPOCIGDHPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16F10Si/c1-41(2)29(17-19(31)23(35)27(39)24(36)20(17)32)15(13-9-5-3-6-10-13)16(14-11-7-4-8-12-14)30(41)18-21(33)25(37)28(40)26(38)22(18)34/h3-12H,1-2H3.
What are the key properties of 1,1-dimethyl-2,5-bis(2,3,4,5,6-pentafluorophenyl)-3,4-diphenylsilole?
1,1-dimethyl-2,5-bis(2,3,4,5,6-pentafluorophenyl)-3,4-diphenylsilole has a molecular weight of 594.52 g/mol, XLogP of 9.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2,5-bis(2,3,4,5,6-pentafluorophenyl)-3,4-diphenylsilole is sourced from PubChem (CID 54524917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).