methyl-[4-(9-methylcarbazol-3-yl)-2-propan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

C48H63NOSi — CID 168786521

IUPACmethyl-[4-(9-methylcarbazol-3-yl)-2-propan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([Si](C)(CCCCCCOC(C)(C)C)C2C(C(C)C)=Cc3c2cc2c(c3-c3ccc4c(c3)c3ccccc3n4C)CCC2)C(C)=C1C
InChIInChI=1S/C48H63NOSi/c1-30(2)39-29-41-42(47(39)51(11,46-33(5)31(3)32(4)34(46)6)26-17-13-12-16-25-50-48(7,8)9)27-35-19-18-21-37(35)45(41)36-23-24-44-40(28-36)38-20-14-15-22-43(38)49(44)10/h14-15,20,22-24,27-30,46-47H,12-13,16-19,21,25-26H2,1-11H3
InChIKeyCRDHXRGYEKNSOL-UHFFFAOYSA-N
MW698.12 g/mol
LogP13.67
Rot. Bonds11

About methyl-[4-(9-methylcarbazol-3-yl)-2-propan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

methyl-[4-(9-methylcarbazol-3-yl)-2-propan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 168786521) has the molecular formula C48H63NOSi and a molecular weight of 698.12 g/mol. Its IUPAC name is methyl-[4-(9-methylcarbazol-3-yl)-2-propan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namemethyl-[4-(9-methylcarbazol-3-yl)-2-propan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID168786521
Molecular FormulaC48H63NOSi
Molecular Weight698.12 g/mol
Exact Mass697.47
IUPAC Namemethyl-[4-(9-methylcarbazol-3-yl)-2-propan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([Si](C)(CCCCCCOC(C)(C)C)C2C(C(C)C)=Cc3c2cc2c(c3-c3ccc4c(c3)c3ccccc3n4C)CCC2)C(C)=C1C
InChIInChI=1S/C48H63NOSi/c1-30(2)39-29-41-42(47(39)51(11,46-33(5)31(3)32(4)34(46)6)26-17-13-12-16-25-50-48(7,8)9)27-35-19-18-21-37(35)45(41)36-23-24-44-40(28-36)38-20-14-15-22-43(38)49(44)10/h14-15,20,22-24,27-30,46-47H,12-13,16-19,21,25-26H2,1-11H3
InChIKeyCRDHXRGYEKNSOL-UHFFFAOYSA-N
XLogP13.67
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.12
LogP ≤ 513.67
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'}

Analyze methyl-[4-(9-methylcarbazol-3-yl)-2-propan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl-[4-(9-methylcarbazol-3-yl)-2-propan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of methyl-[4-(9-methylcarbazol-3-yl)-2-propan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 168786521) is methyl-[4-(9-methylcarbazol-3-yl)-2-propan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for methyl-[4-(9-methylcarbazol-3-yl)-2-propan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for methyl-[4-(9-methylcarbazol-3-yl)-2-propan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=C(C)C([Si](C)(CCCCCCOC(C)(C)C)C2C(C(C)C)=Cc3c2cc2c(c3-c3ccc4c(c3)c3ccccc3n4C)CCC2)C(C)=C1C.
What is the InChIKey of methyl-[4-(9-methylcarbazol-3-yl)-2-propan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is CRDHXRGYEKNSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H63NOSi/c1-30(2)39-29-41-42(47(39)51(11,46-33(5)31(3)32(4)34(46)6)26-17-13-12-16-25-50-48(7,8)9)27-35-19-18-21-37(35)45(41)36-23-24-44-40(28-36)38-20-14-15-22-43(38)49(44)10/h14-15,20,22-24,27-30,46-47H,12-13,16-19,21,25-26H2,1-11H3.
What are the key properties of methyl-[4-(9-methylcarbazol-3-yl)-2-propan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
methyl-[4-(9-methylcarbazol-3-yl)-2-propan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 698.12 g/mol, XLogP of 13.67, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-(9-methylcarbazol-3-yl)-2-propan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 168786521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).