tert-butyl-[dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraenyl)silyl]azanide;carbanide;methanidylbenzene;titanium(4+)

C50H73NSiTi — CID 153499531

IUPACtert-butyl-[dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraenyl)silyl]azanide;carbanide;methanidylbenzene;titanium(4+)
SMILESCC(C)(C)[N-][Si](C)(C)C1C2C=C3C(=CC2C2C=C4C(=CC21)C(C)(C)CCC4(C)C)C(C)(C)CCC3(C)C.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH3-].[Ti+4]
InChIInChI=1S/C35H56NSi.2C7H7.CH3.Ti/c1-31(2,3)36-37(12,13)30-24-20-28-26(32(4,5)14-16-34(28,8)9)18-22(24)23-19-27-29(21-25(23)30)35(10,11)17-15-33(27,6)7;2*1-7-5-3-2-4-6-7;;/h18-25,30H,14-17H2,1-13H3;2*2-6H,1H2;1H3;/q4*-1;+4
InChIKeySSLSRSWGQHDCDK-UHFFFAOYSA-N
MW764.09 g/mol
LogP14.82
Rot. Bonds2

About tert-butyl-[dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraenyl)silyl]azanide;carbanide;methanidylbenzene;titanium(4+)

tert-butyl-[dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraenyl)silyl]azanide;carbanide;methanidylbenzene;titanium(4+) (PubChem CID 153499531) has the molecular formula C50H73NSiTi and a molecular weight of 764.09 g/mol. Its IUPAC name is tert-butyl-[dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraenyl)silyl]azanide;carbanide;methanidylbenzene;titanium(4+).

Molecular Properties

Compound Nametert-butyl-[dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraenyl)silyl]azanide;carbanide;methanidylbenzene;titanium(4+)
PubChem CID153499531
Molecular FormulaC50H73NSiTi
Molecular Weight764.09 g/mol
Exact Mass763.50
IUPAC Nametert-butyl-[dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraenyl)silyl]azanide;carbanide;methanidylbenzene;titanium(4+)
SMILESCC(C)(C)[N-][Si](C)(C)C1C2C=C3C(=CC2C2C=C4C(=CC21)C(C)(C)CCC4(C)C)C(C)(C)CCC3(C)C.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH3-].[Ti+4]
InChIInChI=1S/C35H56NSi.2C7H7.CH3.Ti/c1-31(2,3)36-37(12,13)30-24-20-28-26(32(4,5)14-16-34(28,8)9)18-22(24)23-19-27-29(21-25(23)30)35(10,11)17-15-33(27,6)7;2*1-7-5-3-2-4-6-7;;/h18-25,30H,14-17H2,1-13H3;2*2-6H,1H2;1H3;/q4*-1;+4
InChIKeySSLSRSWGQHDCDK-UHFFFAOYSA-N
XLogP14.82
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.09
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tert-butyl-[dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraenyl)silyl]azanide;carbanide;methanidylbenzene;titanium(4+) with MolForge

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Related Compounds

2-methyl-N-[(2,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalen-3-yl)-diphenylsilyl]propan-2-amine
CID 140878838
carbanide;12-[cyclopentyl-bis(4-methylphenyl)methyl]-5,5,8,8,16,16,19,19-octamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraene;2,7-ditert-butyl-9-[cyclopentyl(diphenyl)methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;bis(dichlorozirconium(2+))
CID 162279296
[[(6aR)-6,6a,10a,10b-tetrahydro-5aH-indeno[2,1-b][1]benzothiol-6-yl]-dimethylsilyl]-tert-butylazanide;carbanide;titanium(4+)
CID 162474226
12-[(4-tert-butyl-2-ethylcyclopentyl)-phenylmethyl]-5,5,8,8,16,16,19,19-octamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraene;12-[(4-tert-butyl-2-methylcyclopentyl)-phenylmethyl]-5,5,8,8,16,16,19,19-octamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraene;carbanide;bis(dichlorozirconium(2+))
CID 162292724
fluoromethane;methanidylbenzene;yttrium
CID 160646799
tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;(Z)-2,3-dimethanidylbut-2-ene;titanium(4+)
CID 23229458
carbanide;methanidylbenzene;molybdenum(2+)
CID 150166404
12-(5-tert-butyl-1,3,3-trimethyl-2,3a,4,5,6,6a-hexahydropentalen-1-yl)-5,5,8,8,16,16,19,19-octamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraene
CID 59661335
N-[dimethyl-(6,6,9,9-tetramethyl-8,10a-dihydro-7H-benzo[b]fluoren-11-yl)silyl]-2-phenylpropan-2-amine
CID 102198351
tert-butyl-[[3-[2-[3-[tert-butylazanidyl(dimethyl)silyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+);zirconium(4+)
CID 23232326
CID 11037808
CID 11037808
12-(5-tert-butyl-1,3,3-trimethyl-2,3a,4,5,6,6a-hexahydropentalen-1-yl)-5,5,8,8,16,16,19,19-octamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraene;carbanide;dichlorozirconium(2+)
CID 162284808

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraenyl)silyl]azanide;carbanide;methanidylbenzene;titanium(4+)?
The IUPAC name of tert-butyl-[dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraenyl)silyl]azanide;carbanide;methanidylbenzene;titanium(4+) (CID 153499531) is tert-butyl-[dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraenyl)silyl]azanide;carbanide;methanidylbenzene;titanium(4+).
What is the SMILES notation for tert-butyl-[dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraenyl)silyl]azanide;carbanide;methanidylbenzene;titanium(4+)?
The canonical SMILES for tert-butyl-[dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraenyl)silyl]azanide;carbanide;methanidylbenzene;titanium(4+) is CC(C)(C)[N-][Si](C)(C)C1C2C=C3C(=CC2C2C=C4C(=CC21)C(C)(C)CCC4(C)C)C(C)(C)CCC3(C)C.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH3-].[Ti+4].
What is the InChIKey of tert-butyl-[dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraenyl)silyl]azanide;carbanide;methanidylbenzene;titanium(4+)?
The InChIKey is SSLSRSWGQHDCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H56NSi.2C7H7.CH3.Ti/c1-31(2,3)36-37(12,13)30-24-20-28-26(32(4,5)14-16-34(28,8)9)18-22(24)23-19-27-29(21-25(23)30)35(10,11)17-15-33(27,6)7;2*1-7-5-3-2-4-6-7;;/h18-25,30H,14-17H2,1-13H3;2*2-6H,1H2;1H3;/q4*-1;+4.
What are the key properties of tert-butyl-[dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraenyl)silyl]azanide;carbanide;methanidylbenzene;titanium(4+)?
tert-butyl-[dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraenyl)silyl]azanide;carbanide;methanidylbenzene;titanium(4+) has a molecular weight of 764.09 g/mol, XLogP of 14.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraenyl)silyl]azanide;carbanide;methanidylbenzene;titanium(4+) is sourced from PubChem (CID 153499531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).