carbanide;dichlorozirconium(2+);(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

C50H58Cl2FNOSiZr — CID 161205659

IUPACcarbanide;dichlorozirconium(2+);(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.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C48H52FNOSi.2CH3.2ClH.Zr/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;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyUVOFRLYUTLOVQF-UHFFFAOYSA-L
MW898.23 g/mol
LogP14.95
Rot. Bonds11

About carbanide;dichlorozirconium(2+);(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

carbanide;dichlorozirconium(2+);(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 161205659) has the molecular formula C50H58Cl2FNOSiZr and a molecular weight of 898.23 g/mol. Its IUPAC name is carbanide;dichlorozirconium(2+);(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 Namecarbanide;dichlorozirconium(2+);(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 CID161205659
Molecular FormulaC50H58Cl2FNOSiZr
Molecular Weight898.23 g/mol
Exact Mass895.27
IUPAC Namecarbanide;dichlorozirconium(2+);(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.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C48H52FNOSi.2CH3.2ClH.Zr/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;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyUVOFRLYUTLOVQF-UHFFFAOYSA-L
XLogP14.95
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.23
LogP ≤ 514.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;dichlorozirconium(2+);(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 carbanide;dichlorozirconium(2+);(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 161205659) is carbanide;dichlorozirconium(2+);(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 carbanide;dichlorozirconium(2+);(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 carbanide;dichlorozirconium(2+);(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.Cl[Zr+2]Cl.[CH3-].[CH3-].
What is the InChIKey of carbanide;dichlorozirconium(2+);(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 UVOFRLYUTLOVQF-UHFFFAOYSA-L. The full InChI is InChI=1S/C48H52FNOSi.2CH3.2ClH.Zr/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;2*1H3;2*1H;/q;2*-1;;;+4/p-2.
What are the key properties of carbanide;dichlorozirconium(2+);(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?
carbanide;dichlorozirconium(2+);(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 898.23 g/mol, XLogP of 14.95, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dichlorozirconium(2+);(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 161205659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).