tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-octadecahydro-1H-indeno[1,2-b]carbazol-11-yl)silyl]azanide;carbanide;dichlorotitanium

C27H50Cl2N2SiTi-2 — CID 58701459

IUPACtert-butyl-[dimethyl-(5-methyl-2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-octadecahydro-1H-indeno[1,2-b]carbazol-11-yl)silyl]azanide;carbanide;dichlorotitanium
SMILESCN1C2CCCCC2C2CC3C(CC21)C1CCCCC1C3[Si](C)(C)[N-]C(C)(C)C.Cl[Ti]Cl.[CH3-]
InChIInChI=1S/C26H47N2Si.CH3.2ClH.Ti/c1-26(2,3)27-29(5,6)25-19-13-8-7-11-17(19)20-16-24-21(15-22(20)25)18-12-9-10-14-23(18)28(24)4;;;;/h17-25H,7-16H2,1-6H3;1H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyFTMPSBYBAICADM-UHFFFAOYSA-L
MW549.57 g/mol
LogP8.90
Rot. Bonds2

About tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-octadecahydro-1H-indeno[1,2-b]carbazol-11-yl)silyl]azanide;carbanide;dichlorotitanium

tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-octadecahydro-1H-indeno[1,2-b]carbazol-11-yl)silyl]azanide;carbanide;dichlorotitanium (PubChem CID 58701459) has the molecular formula C27H50Cl2N2SiTi-2 and a molecular weight of 549.57 g/mol. Its IUPAC name is tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-octadecahydro-1H-indeno[1,2-b]carbazol-11-yl)silyl]azanide;carbanide;dichlorotitanium.

Molecular Properties

Compound Nametert-butyl-[dimethyl-(5-methyl-2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-octadecahydro-1H-indeno[1,2-b]carbazol-11-yl)silyl]azanide;carbanide;dichlorotitanium
PubChem CID58701459
Molecular FormulaC27H50Cl2N2SiTi-2
Molecular Weight549.57 g/mol
Exact Mass548.26
IUPAC Nametert-butyl-[dimethyl-(5-methyl-2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-octadecahydro-1H-indeno[1,2-b]carbazol-11-yl)silyl]azanide;carbanide;dichlorotitanium
SMILESCN1C2CCCCC2C2CC3C(CC21)C1CCCCC1C3[Si](C)(C)[N-]C(C)(C)C.Cl[Ti]Cl.[CH3-]
InChIInChI=1S/C26H47N2Si.CH3.2ClH.Ti/c1-26(2,3)27-29(5,6)25-19-13-8-7-11-17(19)20-16-24-21(15-22(20)25)18-12-9-10-14-23(18)28(24)4;;;;/h17-25H,7-16H2,1-6H3;1H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyFTMPSBYBAICADM-UHFFFAOYSA-L
XLogP8.90
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.57
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methyl-2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-octadecahydro-1H-indeno[1,2-b]carbazol-11-yl)silyl]azanide;carbanide;dichlorotitanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-octadecahydro-1H-indeno[1,2-b]carbazol-11-yl)silyl]azanide;carbanide;dichlorotitanium?
The IUPAC name of tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-octadecahydro-1H-indeno[1,2-b]carbazol-11-yl)silyl]azanide;carbanide;dichlorotitanium (CID 58701459) is tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-octadecahydro-1H-indeno[1,2-b]carbazol-11-yl)silyl]azanide;carbanide;dichlorotitanium.
What is the SMILES notation for tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-octadecahydro-1H-indeno[1,2-b]carbazol-11-yl)silyl]azanide;carbanide;dichlorotitanium?
The canonical SMILES for tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-octadecahydro-1H-indeno[1,2-b]carbazol-11-yl)silyl]azanide;carbanide;dichlorotitanium is CN1C2CCCCC2C2CC3C(CC21)C1CCCCC1C3[Si](C)(C)[N-]C(C)(C)C.Cl[Ti]Cl.[CH3-].
What is the InChIKey of tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-octadecahydro-1H-indeno[1,2-b]carbazol-11-yl)silyl]azanide;carbanide;dichlorotitanium?
The InChIKey is FTMPSBYBAICADM-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H47N2Si.CH3.2ClH.Ti/c1-26(2,3)27-29(5,6)25-19-13-8-7-11-17(19)20-16-24-21(15-22(20)25)18-12-9-10-14-23(18)28(24)4;;;;/h17-25H,7-16H2,1-6H3;1H3;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-octadecahydro-1H-indeno[1,2-b]carbazol-11-yl)silyl]azanide;carbanide;dichlorotitanium?
tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-octadecahydro-1H-indeno[1,2-b]carbazol-11-yl)silyl]azanide;carbanide;dichlorotitanium has a molecular weight of 549.57 g/mol, XLogP of 8.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-octadecahydro-1H-indeno[1,2-b]carbazol-11-yl)silyl]azanide;carbanide;dichlorotitanium is sourced from PubChem (CID 58701459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).