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

C48H52FNOSi — CID 140750003

IUPAC(5,8-dimethyl-10H-indeno[1,2-b]indol-10-yl)-[2-[(2-fluorophenyl)methyl]-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCc1ccc2c(c1)c1c(n2C)-c2ccccc2C1[Si](C)(CCCCCCOC(C)(C)C)C1c2ccccc2-c2ccc(Cc3ccccc3F)cc21
InChIInChI=1S/C48H52FNOSi/c1-32-23-26-43-41(29-32)44-45(50(43)5)37-19-11-13-21-39(37)47(44)52(6,28-16-8-7-15-27-51-48(2,3)4)46-38-20-12-10-18-35(38)36-25-24-33(31-40(36)46)30-34-17-9-14-22-42(34)49/h9-14,17-26,29,31,46-47H,7-8,15-16,27-28,30H2,1-6H3
InChIKeyBIUYYTVWOXSJTA-UHFFFAOYSA-N
MW706.03 g/mol
LogP12.67
Rot. Bonds11

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

(5,8-dimethyl-10H-indeno[1,2-b]indol-10-yl)-[2-[(2-fluorophenyl)methyl]-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (PubChem CID 140750003) has the molecular formula C48H52FNOSi and a molecular weight of 706.03 g/mol. Its IUPAC name is (5,8-dimethyl-10H-indeno[1,2-b]indol-10-yl)-[2-[(2-fluorophenyl)methyl]-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

Molecular Properties

Compound Name(5,8-dimethyl-10H-indeno[1,2-b]indol-10-yl)-[2-[(2-fluorophenyl)methyl]-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
PubChem CID140750003
Molecular FormulaC48H52FNOSi
Molecular Weight706.03 g/mol
Exact Mass705.38
IUPAC Name(5,8-dimethyl-10H-indeno[1,2-b]indol-10-yl)-[2-[(2-fluorophenyl)methyl]-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCc1ccc2c(c1)c1c(n2C)-c2ccccc2C1[Si](C)(CCCCCCOC(C)(C)C)C1c2ccccc2-c2ccc(Cc3ccccc3F)cc21
InChIInChI=1S/C48H52FNOSi/c1-32-23-26-43-41(29-32)44-45(50(43)5)37-19-11-13-21-39(37)47(44)52(6,28-16-8-7-15-27-51-48(2,3)4)46-38-20-12-10-18-35(38)36-25-24-33(31-40(36)46)30-34-17-9-14-22-42(34)49/h9-14,17-26,29,31,46-47H,7-8,15-16,27-28,30H2,1-6H3
InChIKeyBIUYYTVWOXSJTA-UHFFFAOYSA-N
XLogP12.67
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.03
LogP ≤ 512.67
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 (5,8-dimethyl-10H-indeno[1,2-b]indol-10-yl)-[2-[(2-fluorophenyl)methyl]-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The IUPAC name of (5,8-dimethyl-10H-indeno[1,2-b]indol-10-yl)-[2-[(2-fluorophenyl)methyl]-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (CID 140750003) is (5,8-dimethyl-10H-indeno[1,2-b]indol-10-yl)-[2-[(2-fluorophenyl)methyl]-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.
What is the SMILES notation for (5,8-dimethyl-10H-indeno[1,2-b]indol-10-yl)-[2-[(2-fluorophenyl)methyl]-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The canonical SMILES for (5,8-dimethyl-10H-indeno[1,2-b]indol-10-yl)-[2-[(2-fluorophenyl)methyl]-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is Cc1ccc2c(c1)c1c(n2C)-c2ccccc2C1[Si](C)(CCCCCCOC(C)(C)C)C1c2ccccc2-c2ccc(Cc3ccccc3F)cc21.
What is the InChIKey of (5,8-dimethyl-10H-indeno[1,2-b]indol-10-yl)-[2-[(2-fluorophenyl)methyl]-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The InChIKey is BIUYYTVWOXSJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H52FNOSi/c1-32-23-26-43-41(29-32)44-45(50(43)5)37-19-11-13-21-39(37)47(44)52(6,28-16-8-7-15-27-51-48(2,3)4)46-38-20-12-10-18-35(38)36-25-24-33(31-40(36)46)30-34-17-9-14-22-42(34)49/h9-14,17-26,29,31,46-47H,7-8,15-16,27-28,30H2,1-6H3.
What are the key properties of (5,8-dimethyl-10H-indeno[1,2-b]indol-10-yl)-[2-[(2-fluorophenyl)methyl]-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
(5,8-dimethyl-10H-indeno[1,2-b]indol-10-yl)-[2-[(2-fluorophenyl)methyl]-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane has a molecular weight of 706.03 g/mol, XLogP of 12.67, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,8-dimethyl-10H-indeno[1,2-b]indol-10-yl)-[2-[(2-fluorophenyl)methyl]-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is sourced from PubChem (CID 140750003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).