1-[2-(9H-fluoren-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride

C27H22Cl2NTi — CID 87566723

IUPAC1-[2-(9H-fluoren-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride
SMILESCC([N-]c1ccccc1)c1ccccc1-c1cccc2c1Cc1ccccc1-2.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C27H22N.2ClH.Ti/c1-19(28-21-11-3-2-4-12-21)22-13-7-8-15-24(22)26-17-9-16-25-23-14-6-5-10-20(23)18-27(25)26;;;/h2-17,19H,18H2,1H3;2*1H;/q-1;;;+3/p-2
InChIKeyDPVCZWFSZKHDOM-UHFFFAOYSA-L
MW479.25 g/mol
LogP1.70
Rot. Bonds4

About 1-[2-(9H-fluoren-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride

1-[2-(9H-fluoren-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride (PubChem CID 87566723) has the molecular formula C27H22Cl2NTi and a molecular weight of 479.25 g/mol. Its IUPAC name is 1-[2-(9H-fluoren-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride.

Molecular Properties

Compound Name1-[2-(9H-fluoren-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride
PubChem CID87566723
Molecular FormulaC27H22Cl2NTi
Molecular Weight479.25 g/mol
Exact Mass478.06
IUPAC Name1-[2-(9H-fluoren-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride
SMILESCC([N-]c1ccccc1)c1ccccc1-c1cccc2c1Cc1ccccc1-2.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C27H22N.2ClH.Ti/c1-19(28-21-11-3-2-4-12-21)22-13-7-8-15-24(22)26-17-9-16-25-23-14-6-5-10-20(23)18-27(25)26;;;/h2-17,19H,18H2,1H3;2*1H;/q-1;;;+3/p-2
InChIKeyDPVCZWFSZKHDOM-UHFFFAOYSA-L
XLogP1.70
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(9H-fluoren-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride?
The IUPAC name of 1-[2-(9H-fluoren-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride (CID 87566723) is 1-[2-(9H-fluoren-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride.
What is the SMILES notation for 1-[2-(9H-fluoren-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride?
The canonical SMILES for 1-[2-(9H-fluoren-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride is CC([N-]c1ccccc1)c1ccccc1-c1cccc2c1Cc1ccccc1-2.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of 1-[2-(9H-fluoren-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride?
The InChIKey is DPVCZWFSZKHDOM-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H22N.2ClH.Ti/c1-19(28-21-11-3-2-4-12-21)22-13-7-8-15-24(22)26-17-9-16-25-23-14-6-5-10-20(23)18-27(25)26;;;/h2-17,19H,18H2,1H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 1-[2-(9H-fluoren-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride?
1-[2-(9H-fluoren-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride has a molecular weight of 479.25 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(9H-fluoren-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride is sourced from PubChem (CID 87566723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).