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

C41H55NOSi — CID 140802088

IUPAC4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(2,5-dimethyl-6,6a,10a,10b-tetrahydro-5aH-indeno[2,1-b]indol-6-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCc1ccc2c(c1)C1C3C=CC=CC3C([Si](C)(CCCCCCOC(C)(C)C)C3C4C=CC=CC4C4C=CC=CC43)C1N2C
InChIInChI=1S/C41H55NOSi/c1-28-23-24-36-35(27-28)37-31-19-11-14-22-34(31)40(38(37)42(36)5)44(6,26-16-8-7-15-25-43-41(2,3)4)39-32-20-12-9-17-29(32)30-18-10-13-21-33(30)39/h9-14,17-24,27,29-34,37-40H,7-8,15-16,25-26H2,1-6H3
InChIKeyIIJZYBNECHNWKO-UHFFFAOYSA-N
MW605.98 g/mol
LogP10.19
Rot. Bonds9

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

4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(2,5-dimethyl-6,6a,10a,10b-tetrahydro-5aH-indeno[2,1-b]indol-6-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (PubChem CID 140802088) has the molecular formula C41H55NOSi and a molecular weight of 605.98 g/mol. Its IUPAC name is 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(2,5-dimethyl-6,6a,10a,10b-tetrahydro-5aH-indeno[2,1-b]indol-6-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

Molecular Properties

Compound Name4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(2,5-dimethyl-6,6a,10a,10b-tetrahydro-5aH-indeno[2,1-b]indol-6-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
PubChem CID140802088
Molecular FormulaC41H55NOSi
Molecular Weight605.98 g/mol
Exact Mass605.41
IUPAC Name4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(2,5-dimethyl-6,6a,10a,10b-tetrahydro-5aH-indeno[2,1-b]indol-6-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCc1ccc2c(c1)C1C3C=CC=CC3C([Si](C)(CCCCCCOC(C)(C)C)C3C4C=CC=CC4C4C=CC=CC43)C1N2C
InChIInChI=1S/C41H55NOSi/c1-28-23-24-36-35(27-28)37-31-19-11-14-22-34(31)40(38(37)42(36)5)44(6,26-16-8-7-15-25-43-41(2,3)4)39-32-20-12-9-17-29(32)30-18-10-13-21-33(30)39/h9-14,17-24,27,29-34,37-40H,7-8,15-16,25-26H2,1-6H3
InChIKeyIIJZYBNECHNWKO-UHFFFAOYSA-N
XLogP10.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.98
LogP ≤ 510.19
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-(2,5-dimethyl-6,6a,10a,10b-tetrahydro-5aH-indeno[2,1-b]indol-6-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 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(2,5-dimethyl-6,6a,10a,10b-tetrahydro-5aH-indeno[2,1-b]indol-6-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The IUPAC name of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(2,5-dimethyl-6,6a,10a,10b-tetrahydro-5aH-indeno[2,1-b]indol-6-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (CID 140802088) is 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(2,5-dimethyl-6,6a,10a,10b-tetrahydro-5aH-indeno[2,1-b]indol-6-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.
What is the SMILES notation for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(2,5-dimethyl-6,6a,10a,10b-tetrahydro-5aH-indeno[2,1-b]indol-6-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The canonical SMILES for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(2,5-dimethyl-6,6a,10a,10b-tetrahydro-5aH-indeno[2,1-b]indol-6-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is Cc1ccc2c(c1)C1C3C=CC=CC3C([Si](C)(CCCCCCOC(C)(C)C)C3C4C=CC=CC4C4C=CC=CC43)C1N2C.
What is the InChIKey of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(2,5-dimethyl-6,6a,10a,10b-tetrahydro-5aH-indeno[2,1-b]indol-6-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The InChIKey is IIJZYBNECHNWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H55NOSi/c1-28-23-24-36-35(27-28)37-31-19-11-14-22-34(31)40(38(37)42(36)5)44(6,26-16-8-7-15-25-43-41(2,3)4)39-32-20-12-9-17-29(32)30-18-10-13-21-33(30)39/h9-14,17-24,27,29-34,37-40H,7-8,15-16,25-26H2,1-6H3.
What are the key properties of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(2,5-dimethyl-6,6a,10a,10b-tetrahydro-5aH-indeno[2,1-b]indol-6-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(2,5-dimethyl-6,6a,10a,10b-tetrahydro-5aH-indeno[2,1-b]indol-6-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane has a molecular weight of 605.98 g/mol, XLogP of 10.19, 9 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-(2,5-dimethyl-6,6a,10a,10b-tetrahydro-5aH-indeno[2,1-b]indol-6-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is sourced from PubChem (CID 140802088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).