dichlorotitanium;[2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide

C26H20Cl2NTi- — CID 173109301

IUPACdichlorotitanium;[2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide
SMILESCl[Ti]Cl.c1ccc([N-]Cc2ccccc2-c2cccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C26H20N.2ClH.Ti/c1-2-11-21(12-3-1)27-18-20-10-5-7-14-23(20)25-16-8-15-24-22-13-6-4-9-19(22)17-26(24)25;;;/h1-16H,17-18H2;2*1H;/q-1;;;+2/p-2
InChIKeyRXMUEVGSRKWEIJ-UHFFFAOYSA-L
MW465.23 g/mol
LogP8.51
Rot. Bonds4

About dichlorotitanium;[2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide

dichlorotitanium;[2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide (PubChem CID 173109301) has the molecular formula C26H20Cl2NTi- and a molecular weight of 465.23 g/mol. Its IUPAC name is dichlorotitanium;[2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide.

Molecular Properties

Compound Namedichlorotitanium;[2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide
PubChem CID173109301
Molecular FormulaC26H20Cl2NTi-
Molecular Weight465.23 g/mol
Exact Mass464.05
IUPAC Namedichlorotitanium;[2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide
SMILESCl[Ti]Cl.c1ccc([N-]Cc2ccccc2-c2cccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C26H20N.2ClH.Ti/c1-2-11-21(12-3-1)27-18-20-10-5-7-14-23(20)25-16-8-15-24-22-13-6-4-9-19(22)17-26(24)25;;;/h1-16H,17-18H2;2*1H;/q-1;;;+2/p-2
InChIKeyRXMUEVGSRKWEIJ-UHFFFAOYSA-L
XLogP8.51
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.23
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide;titanium(3+);dichloride
CID 87568061
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
dichlorotitanium;9H-fluorene
CID 174396064
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
ethane;1-ethyl-9H-fluorene;propane
CID 167686584
1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene
CID 150664526
1-(2,2,2-triphenylethyl)-9H-fluorene
CID 151369525
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
1-(2-methylpropyl)-9H-fluorene
CID 87557268
1-[2-(9H-fluoren-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride
CID 87566723
bis(1-ethyl-9H-fluorene);pyridine
CID 158763322
2-(9H-fluoren-1-yl)acetamide
CID 22939017

Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;[2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide?
The IUPAC name of dichlorotitanium;[2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide (CID 173109301) is dichlorotitanium;[2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide.
What is the SMILES notation for dichlorotitanium;[2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide?
The canonical SMILES for dichlorotitanium;[2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide is Cl[Ti]Cl.c1ccc([N-]Cc2ccccc2-c2cccc3c2Cc2ccccc2-3)cc1.
What is the InChIKey of dichlorotitanium;[2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide?
The InChIKey is RXMUEVGSRKWEIJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H20N.2ClH.Ti/c1-2-11-21(12-3-1)27-18-20-10-5-7-14-23(20)25-16-8-15-24-22-13-6-4-9-19(22)17-26(24)25;;;/h1-16H,17-18H2;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorotitanium;[2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide?
dichlorotitanium;[2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide has a molecular weight of 465.23 g/mol, XLogP of 8.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;[2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide is sourced from PubChem (CID 173109301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).