(5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

C51H63FN2OSi — CID 162287612

IUPAC(5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCc1ccc2c(c1)C1C(C3C=CC=CC3C1[Si](C)(CCCCCCOC(C)(C)C)C1C3C=CC=CC3C3C1c1cc(C)ccc1N3Cc1ccccc1F)N2C
InChIInChI=1S/C51H63FN2OSi/c1-33-24-26-43-40(30-33)45-47(53(43)6)36-19-11-13-21-38(36)49(45)56(7,29-17-9-8-16-28-55-51(3,4)5)50-39-22-14-12-20-37(39)48-46(50)41-31-34(2)25-27-44(41)54(48)32-35-18-10-15-23-42(35)52/h10-15,18-27,30-31,36-39,45-50H,8-9,16-17,28-29,32H2,1-7H3
InChIKeyVXYJDFDZPGYGCJ-UHFFFAOYSA-N
MW767.16 g/mol
LogP12.46
Rot. Bonds11

About (5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

(5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (PubChem CID 162287612) has the molecular formula C51H63FN2OSi and a molecular weight of 767.16 g/mol. Its IUPAC name is (5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

Molecular Properties

Compound Name(5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
PubChem CID162287612
Molecular FormulaC51H63FN2OSi
Molecular Weight767.16 g/mol
Exact Mass766.47
IUPAC Name(5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCc1ccc2c(c1)C1C(C3C=CC=CC3C1[Si](C)(CCCCCCOC(C)(C)C)C1C3C=CC=CC3C3C1c1cc(C)ccc1N3Cc1ccccc1F)N2C
InChIInChI=1S/C51H63FN2OSi/c1-33-24-26-43-40(30-33)45-47(53(43)6)36-19-11-13-21-38(36)49(45)56(7,29-17-9-8-16-28-55-51(3,4)5)50-39-22-14-12-20-37(39)48-46(50)41-31-34(2)25-27-44(41)54(48)32-35-18-10-15-23-42(35)52/h10-15,18-27,30-31,36-39,45-50H,8-9,16-17,28-29,32H2,1-7H3
InChIKeyVXYJDFDZPGYGCJ-UHFFFAOYSA-N
XLogP12.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.16
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The IUPAC name of (5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (CID 162287612) is (5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.
What is the SMILES notation for (5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The canonical SMILES for (5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is Cc1ccc2c(c1)C1C(C3C=CC=CC3C1[Si](C)(CCCCCCOC(C)(C)C)C1C3C=CC=CC3C3C1c1cc(C)ccc1N3Cc1ccccc1F)N2C.
What is the InChIKey of (5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The InChIKey is VXYJDFDZPGYGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H63FN2OSi/c1-33-24-26-43-40(30-33)45-47(53(43)6)36-19-11-13-21-38(36)49(45)56(7,29-17-9-8-16-28-55-51(3,4)5)50-39-22-14-12-20-37(39)48-46(50)41-31-34(2)25-27-44(41)54(48)32-35-18-10-15-23-42(35)52/h10-15,18-27,30-31,36-39,45-50H,8-9,16-17,28-29,32H2,1-7H3.
What are the key properties of (5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
(5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane has a molecular weight of 767.16 g/mol, XLogP of 12.46, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is sourced from PubChem (CID 162287612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).