9H-fluoren-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

C47H46F5NOSi — CID 140785994

IUPAC9H-fluoren-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCc1ccc2c(c1)c1c(n2Cc2c(F)c(F)c(F)c(F)c2F)-c2ccccc2C1[Si](C)(CCCCCCOC(C)(C)C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C47H46F5NOSi/c1-28-22-23-37-35(26-28)38-44(53(37)27-36-39(48)41(50)43(52)42(51)40(36)49)31-18-10-13-21-34(31)46(38)55(5,25-15-7-6-14-24-54-47(2,3)4)45-32-19-11-8-16-29(32)30-17-9-12-20-33(30)45/h8-13,16-23,26,45-46H,6-7,14-15,24-25,27H2,1-5H3
InChIKeyUGLHQOXURMWVAI-UHFFFAOYSA-N
MW763.97 g/mol
LogP13.15
Rot. Bonds11

About 9H-fluoren-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

9H-fluoren-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (PubChem CID 140785994) has the molecular formula C47H46F5NOSi and a molecular weight of 763.97 g/mol. Its IUPAC name is 9H-fluoren-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

Molecular Properties

Compound Name9H-fluoren-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
PubChem CID140785994
Molecular FormulaC47H46F5NOSi
Molecular Weight763.97 g/mol
Exact Mass763.33
IUPAC Name9H-fluoren-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCc1ccc2c(c1)c1c(n2Cc2c(F)c(F)c(F)c(F)c2F)-c2ccccc2C1[Si](C)(CCCCCCOC(C)(C)C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C47H46F5NOSi/c1-28-22-23-37-35(26-28)38-44(53(37)27-36-39(48)41(50)43(52)42(51)40(36)49)31-18-10-13-21-34(31)46(38)55(5,25-15-7-6-14-24-54-47(2,3)4)45-32-19-11-8-16-29(32)30-17-9-12-20-33(30)45/h8-13,16-23,26,45-46H,6-7,14-15,24-25,27H2,1-5H3
InChIKeyUGLHQOXURMWVAI-UHFFFAOYSA-N
XLogP13.15
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.97
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 9H-fluoren-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The IUPAC name of 9H-fluoren-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (CID 140785994) is 9H-fluoren-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.
What is the SMILES notation for 9H-fluoren-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The canonical SMILES for 9H-fluoren-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is Cc1ccc2c(c1)c1c(n2Cc2c(F)c(F)c(F)c(F)c2F)-c2ccccc2C1[Si](C)(CCCCCCOC(C)(C)C)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The InChIKey is UGLHQOXURMWVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H46F5NOSi/c1-28-22-23-37-35(26-28)38-44(53(37)27-36-39(48)41(50)43(52)42(51)40(36)49)31-18-10-13-21-34(31)46(38)55(5,25-15-7-6-14-24-54-47(2,3)4)45-32-19-11-8-16-29(32)30-17-9-12-20-33(30)45/h8-13,16-23,26,45-46H,6-7,14-15,24-25,27H2,1-5H3.
What are the key properties of 9H-fluoren-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
9H-fluoren-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane has a molecular weight of 763.97 g/mol, XLogP of 13.15, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is sourced from PubChem (CID 140785994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).