[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethyl-[2-methyl-5-(2,3,4,5,6-pentafluorophenoxy)-4-phenyl-6-propan-2-yl-1H-inden-1-yl]silane

C47H45F5OSi — CID 89392493

IUPAC[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethyl-[2-methyl-5-(2,3,4,5,6-pentafluorophenoxy)-4-phenyl-6-propan-2-yl-1H-inden-1-yl]silane
SMILESCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Si](C)(C)C1C(C)=Cc2c1cc(C(C)C)c(Oc1c(F)c(F)c(F)c(F)c1F)c2-c1ccccc1
InChIInChI=1S/C47H45F5OSi/c1-25(2)33-24-36-35(37(29-14-11-10-12-15-29)43(33)53-44-41(51)39(49)38(48)40(50)42(44)52)23-27(4)46(36)54(8,9)45-26(3)22-34-31(16-13-17-32(34)45)28-18-20-30(21-19-28)47(5,6)7/h10-25,45-46H,1-9H3
InChIKeyLDEMHPPNPKHQCU-UHFFFAOYSA-N
MW748.95 g/mol
LogP14.42
Rot. Bonds7

About [4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethyl-[2-methyl-5-(2,3,4,5,6-pentafluorophenoxy)-4-phenyl-6-propan-2-yl-1H-inden-1-yl]silane

[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethyl-[2-methyl-5-(2,3,4,5,6-pentafluorophenoxy)-4-phenyl-6-propan-2-yl-1H-inden-1-yl]silane (PubChem CID 89392493) has the molecular formula C47H45F5OSi and a molecular weight of 748.95 g/mol. Its IUPAC name is [4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethyl-[2-methyl-5-(2,3,4,5,6-pentafluorophenoxy)-4-phenyl-6-propan-2-yl-1H-inden-1-yl]silane.

Molecular Properties

Compound Name[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethyl-[2-methyl-5-(2,3,4,5,6-pentafluorophenoxy)-4-phenyl-6-propan-2-yl-1H-inden-1-yl]silane
PubChem CID89392493
Molecular FormulaC47H45F5OSi
Molecular Weight748.95 g/mol
Exact Mass748.32
IUPAC Name[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethyl-[2-methyl-5-(2,3,4,5,6-pentafluorophenoxy)-4-phenyl-6-propan-2-yl-1H-inden-1-yl]silane
SMILESCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Si](C)(C)C1C(C)=Cc2c1cc(C(C)C)c(Oc1c(F)c(F)c(F)c(F)c1F)c2-c1ccccc1
InChIInChI=1S/C47H45F5OSi/c1-25(2)33-24-36-35(37(29-14-11-10-12-15-29)43(33)53-44-41(51)39(49)38(48)40(50)42(44)52)23-27(4)46(36)54(8,9)45-26(3)22-34-31(16-13-17-32(34)45)28-18-20-30(21-19-28)47(5,6)7/h10-25,45-46H,1-9H3
InChIKeyLDEMHPPNPKHQCU-UHFFFAOYSA-N
XLogP14.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.95
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethyl-[2-methyl-5-(2,3,4,5,6-pentafluorophenoxy)-4-phenyl-6-propan-2-yl-1H-inden-1-yl]silane?
The IUPAC name of [4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethyl-[2-methyl-5-(2,3,4,5,6-pentafluorophenoxy)-4-phenyl-6-propan-2-yl-1H-inden-1-yl]silane (CID 89392493) is [4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethyl-[2-methyl-5-(2,3,4,5,6-pentafluorophenoxy)-4-phenyl-6-propan-2-yl-1H-inden-1-yl]silane.
What is the SMILES notation for [4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethyl-[2-methyl-5-(2,3,4,5,6-pentafluorophenoxy)-4-phenyl-6-propan-2-yl-1H-inden-1-yl]silane?
The canonical SMILES for [4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethyl-[2-methyl-5-(2,3,4,5,6-pentafluorophenoxy)-4-phenyl-6-propan-2-yl-1H-inden-1-yl]silane is CC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Si](C)(C)C1C(C)=Cc2c1cc(C(C)C)c(Oc1c(F)c(F)c(F)c(F)c1F)c2-c1ccccc1.
What is the InChIKey of [4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethyl-[2-methyl-5-(2,3,4,5,6-pentafluorophenoxy)-4-phenyl-6-propan-2-yl-1H-inden-1-yl]silane?
The InChIKey is LDEMHPPNPKHQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H45F5OSi/c1-25(2)33-24-36-35(37(29-14-11-10-12-15-29)43(33)53-44-41(51)39(49)38(48)40(50)42(44)52)23-27(4)46(36)54(8,9)45-26(3)22-34-31(16-13-17-32(34)45)28-18-20-30(21-19-28)47(5,6)7/h10-25,45-46H,1-9H3.
What are the key properties of [4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethyl-[2-methyl-5-(2,3,4,5,6-pentafluorophenoxy)-4-phenyl-6-propan-2-yl-1H-inden-1-yl]silane?
[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethyl-[2-methyl-5-(2,3,4,5,6-pentafluorophenoxy)-4-phenyl-6-propan-2-yl-1H-inden-1-yl]silane has a molecular weight of 748.95 g/mol, XLogP of 14.42, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethyl-[2-methyl-5-(2,3,4,5,6-pentafluorophenoxy)-4-phenyl-6-propan-2-yl-1H-inden-1-yl]silane is sourced from PubChem (CID 89392493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).