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

C45H55NOSi — CID 140802094

IUPAC4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane
SMILESCC(C)(C)OCCCCCC[Si](C)(C1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C1c1ccccc1N2c1ccccc1
InChIInChI=1S/C45H55NOSi/c1-45(2,3)47-30-18-5-6-19-31-48(4,43-36-25-13-10-22-33(36)34-23-11-14-26-37(34)43)44-38-27-15-12-24-35(38)42-41(44)39-28-16-17-29-40(39)46(42)32-20-8-7-9-21-32/h7-17,20-29,33-38,41-44H,5-6,18-19,30-31H2,1-4H3
InChIKeyKOGLWIBMKSYSIS-UHFFFAOYSA-N
MW654.03 g/mol
LogP11.59
Rot. Bonds10

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

4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane (PubChem CID 140802094) has the molecular formula C45H55NOSi and a molecular weight of 654.03 g/mol. Its IUPAC name is 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane.

Molecular Properties

Compound Name4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane
PubChem CID140802094
Molecular FormulaC45H55NOSi
Molecular Weight654.03 g/mol
Exact Mass653.41
IUPAC Name4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane
SMILESCC(C)(C)OCCCCCC[Si](C)(C1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C1c1ccccc1N2c1ccccc1
InChIInChI=1S/C45H55NOSi/c1-45(2,3)47-30-18-5-6-19-31-48(4,43-36-25-13-10-22-33(36)34-23-11-14-26-37(34)43)44-38-27-15-12-24-35(38)42-41(44)39-28-16-17-29-40(39)46(42)32-20-8-7-9-21-32/h7-17,20-29,33-38,41-44H,5-6,18-19,30-31H2,1-4H3
InChIKeyKOGLWIBMKSYSIS-UHFFFAOYSA-N
XLogP11.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.03
LogP ≤ 511.59
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'}

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

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Frequently Asked Questions

What is the IUPAC name of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane?
The IUPAC name of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane (CID 140802094) is 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane.
What is the SMILES notation for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane?
The canonical SMILES for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane is CC(C)(C)OCCCCCC[Si](C)(C1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C1c1ccccc1N2c1ccccc1.
What is the InChIKey of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane?
The InChIKey is KOGLWIBMKSYSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H55NOSi/c1-45(2,3)47-30-18-5-6-19-31-48(4,43-36-25-13-10-22-33(36)34-23-11-14-26-37(34)43)44-38-27-15-12-24-35(38)42-41(44)39-28-16-17-29-40(39)46(42)32-20-8-7-9-21-32/h7-17,20-29,33-38,41-44H,5-6,18-19,30-31H2,1-4H3.
What are the key properties of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane?
4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane has a molecular weight of 654.03 g/mol, XLogP of 11.59, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane is sourced from PubChem (CID 140802094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).