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

C47H50FNOSi — CID 140785992

IUPAC9H-fluoren-9-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCc1ccc2c(c1)c1c(n2Cc2ccccc2F)-c2ccccc2C1[Si](C)(CCCCCCOC(C)(C)C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C47H50FNOSi/c1-32-26-27-42-40(30-32)43-44(49(42)31-33-18-8-15-25-41(33)48)36-21-11-14-24-39(36)46(43)51(5,29-17-7-6-16-28-50-47(2,3)4)45-37-22-12-9-19-34(37)35-20-10-13-23-38(35)45/h8-15,18-27,30,45-46H,6-7,16-17,28-29,31H2,1-5H3
InChIKeySALMLLMDUPZBQE-UHFFFAOYSA-N
MW692.01 g/mol
LogP12.59
Rot. Bonds11

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

9H-fluoren-9-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (PubChem CID 140785992) has the molecular formula C47H50FNOSi and a molecular weight of 692.01 g/mol. Its IUPAC name is 9H-fluoren-9-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

Molecular Properties

Compound Name9H-fluoren-9-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
PubChem CID140785992
Molecular FormulaC47H50FNOSi
Molecular Weight692.01 g/mol
Exact Mass691.36
IUPAC Name9H-fluoren-9-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCc1ccc2c(c1)c1c(n2Cc2ccccc2F)-c2ccccc2C1[Si](C)(CCCCCCOC(C)(C)C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C47H50FNOSi/c1-32-26-27-42-40(30-32)43-44(49(42)31-33-18-8-15-25-41(33)48)36-21-11-14-24-39(36)46(43)51(5,29-17-7-6-16-28-50-47(2,3)4)45-37-22-12-9-19-34(37)35-20-10-13-23-38(35)45/h8-15,18-27,30,45-46H,6-7,16-17,28-29,31H2,1-5H3
InChIKeySALMLLMDUPZBQE-UHFFFAOYSA-N
XLogP12.59
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.01
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The IUPAC name of 9H-fluoren-9-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (CID 140785992) is 9H-fluoren-9-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.
What is the SMILES notation for 9H-fluoren-9-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The canonical SMILES for 9H-fluoren-9-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is Cc1ccc2c(c1)c1c(n2Cc2ccccc2F)-c2ccccc2C1[Si](C)(CCCCCCOC(C)(C)C)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The InChIKey is SALMLLMDUPZBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H50FNOSi/c1-32-26-27-42-40(30-32)43-44(49(42)31-33-18-8-15-25-41(33)48)36-21-11-14-24-39(36)46(43)51(5,29-17-7-6-16-28-50-47(2,3)4)45-37-22-12-9-19-34(37)35-20-10-13-23-38(35)45/h8-15,18-27,30,45-46H,6-7,16-17,28-29,31H2,1-5H3.
What are the key properties of 9H-fluoren-9-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
9H-fluoren-9-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane has a molecular weight of 692.01 g/mol, XLogP of 12.59, 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-[5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is sourced from PubChem (CID 140785992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).