dichlorotitanium;2-[2-(9H-fluoren-9-yl)phenyl]propan-2-yl-(2,4,6-trimethylphenyl)azanide

C31H30Cl2NTi- — CID 173093966

IUPACdichlorotitanium;2-[2-(9H-fluoren-9-yl)phenyl]propan-2-yl-(2,4,6-trimethylphenyl)azanide
SMILESCc1cc(C)c([N-]C(C)(C)c2ccccc2C2c3ccccc3-c3ccccc32)c(C)c1.Cl[Ti]Cl
InChIInChI=1S/C31H30N.2ClH.Ti/c1-20-18-21(2)30(22(3)19-20)32-31(4,5)28-17-11-10-16-27(28)29-25-14-8-6-12-23(25)24-13-7-9-15-26(24)29;;;/h6-19,29H,1-5H3;2*1H;/q-1;;;+2/p-2
InChIKeyONEZQDWDZMAEIC-UHFFFAOYSA-L
MW535.36 g/mol
LogP10.09
Rot. Bonds4

About dichlorotitanium;2-[2-(9H-fluoren-9-yl)phenyl]propan-2-yl-(2,4,6-trimethylphenyl)azanide

dichlorotitanium;2-[2-(9H-fluoren-9-yl)phenyl]propan-2-yl-(2,4,6-trimethylphenyl)azanide (PubChem CID 173093966) has the molecular formula C31H30Cl2NTi- and a molecular weight of 535.36 g/mol. Its IUPAC name is dichlorotitanium;2-[2-(9H-fluoren-9-yl)phenyl]propan-2-yl-(2,4,6-trimethylphenyl)azanide.

Molecular Properties

Compound Namedichlorotitanium;2-[2-(9H-fluoren-9-yl)phenyl]propan-2-yl-(2,4,6-trimethylphenyl)azanide
PubChem CID173093966
Molecular FormulaC31H30Cl2NTi-
Molecular Weight535.36 g/mol
Exact Mass534.12
IUPAC Namedichlorotitanium;2-[2-(9H-fluoren-9-yl)phenyl]propan-2-yl-(2,4,6-trimethylphenyl)azanide
SMILESCc1cc(C)c([N-]C(C)(C)c2ccccc2C2c3ccccc3-c3ccccc32)c(C)c1.Cl[Ti]Cl
InChIInChI=1S/C31H30N.2ClH.Ti/c1-20-18-21(2)30(22(3)19-20)32-31(4,5)28-17-11-10-16-27(28)29-25-14-8-6-12-23(25)24-13-7-9-15-26(24)29;;;/h6-19,29H,1-5H3;2*1H;/q-1;;;+2/p-2
InChIKeyONEZQDWDZMAEIC-UHFFFAOYSA-L
XLogP10.09
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.36
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;2-[2-(9H-fluoren-9-yl)phenyl]propan-2-yl-(2,4,6-trimethylphenyl)azanide?
The IUPAC name of dichlorotitanium;2-[2-(9H-fluoren-9-yl)phenyl]propan-2-yl-(2,4,6-trimethylphenyl)azanide (CID 173093966) is dichlorotitanium;2-[2-(9H-fluoren-9-yl)phenyl]propan-2-yl-(2,4,6-trimethylphenyl)azanide.
What is the SMILES notation for dichlorotitanium;2-[2-(9H-fluoren-9-yl)phenyl]propan-2-yl-(2,4,6-trimethylphenyl)azanide?
The canonical SMILES for dichlorotitanium;2-[2-(9H-fluoren-9-yl)phenyl]propan-2-yl-(2,4,6-trimethylphenyl)azanide is Cc1cc(C)c([N-]C(C)(C)c2ccccc2C2c3ccccc3-c3ccccc32)c(C)c1.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;2-[2-(9H-fluoren-9-yl)phenyl]propan-2-yl-(2,4,6-trimethylphenyl)azanide?
The InChIKey is ONEZQDWDZMAEIC-UHFFFAOYSA-L. The full InChI is InChI=1S/C31H30N.2ClH.Ti/c1-20-18-21(2)30(22(3)19-20)32-31(4,5)28-17-11-10-16-27(28)29-25-14-8-6-12-23(25)24-13-7-9-15-26(24)29;;;/h6-19,29H,1-5H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorotitanium;2-[2-(9H-fluoren-9-yl)phenyl]propan-2-yl-(2,4,6-trimethylphenyl)azanide?
dichlorotitanium;2-[2-(9H-fluoren-9-yl)phenyl]propan-2-yl-(2,4,6-trimethylphenyl)azanide has a molecular weight of 535.36 g/mol, XLogP of 10.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;2-[2-(9H-fluoren-9-yl)phenyl]propan-2-yl-(2,4,6-trimethylphenyl)azanide is sourced from PubChem (CID 173093966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).