[2-(9H-fluoren-9-yl)naphthalen-1-yl]methanol;titanium(2+);dichloride

C24H18Cl2OTi — CID 87494961

IUPAC[2-(9H-fluoren-9-yl)naphthalen-1-yl]methanol;titanium(2+);dichloride
SMILESOCc1c(C2c3ccccc3-c3ccccc32)ccc2ccccc12.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C24H18O.2ClH.Ti/c25-15-23-17-8-2-1-7-16(17)13-14-22(23)24-20-11-5-3-9-18(20)19-10-4-6-12-21(19)24;;;/h1-14,24-25H,15H2;2*1H;/q;;;+2/p-2
InChIKeyFRXQKKWOFSQMMQ-UHFFFAOYSA-L
MW441.18 g/mol
LogP-0.50
Rot. Bonds2

About [2-(9H-fluoren-9-yl)naphthalen-1-yl]methanol;titanium(2+);dichloride

[2-(9H-fluoren-9-yl)naphthalen-1-yl]methanol;titanium(2+);dichloride (PubChem CID 87494961) has the molecular formula C24H18Cl2OTi and a molecular weight of 441.18 g/mol. Its IUPAC name is [2-(9H-fluoren-9-yl)naphthalen-1-yl]methanol;titanium(2+);dichloride.

Molecular Properties

Compound Name[2-(9H-fluoren-9-yl)naphthalen-1-yl]methanol;titanium(2+);dichloride
PubChem CID87494961
Molecular FormulaC24H18Cl2OTi
Molecular Weight441.18 g/mol
Exact Mass440.02
IUPAC Name[2-(9H-fluoren-9-yl)naphthalen-1-yl]methanol;titanium(2+);dichloride
SMILESOCc1c(C2c3ccccc3-c3ccccc32)ccc2ccccc12.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C24H18O.2ClH.Ti/c25-15-23-17-8-2-1-7-16(17)13-14-22(23)24-20-11-5-3-9-18(20)19-10-4-6-12-21(19)24;;;/h1-14,24-25H,15H2;2*1H;/q;;;+2/p-2
InChIKeyFRXQKKWOFSQMMQ-UHFFFAOYSA-L
XLogP-0.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.18
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(9H-fluoren-9-yl)naphthalen-1-yl]methanol;titanium(2+);dichloride?
The IUPAC name of [2-(9H-fluoren-9-yl)naphthalen-1-yl]methanol;titanium(2+);dichloride (CID 87494961) is [2-(9H-fluoren-9-yl)naphthalen-1-yl]methanol;titanium(2+);dichloride.
What is the SMILES notation for [2-(9H-fluoren-9-yl)naphthalen-1-yl]methanol;titanium(2+);dichloride?
The canonical SMILES for [2-(9H-fluoren-9-yl)naphthalen-1-yl]methanol;titanium(2+);dichloride is OCc1c(C2c3ccccc3-c3ccccc32)ccc2ccccc12.[Cl-].[Cl-].[Ti+2].
What is the InChIKey of [2-(9H-fluoren-9-yl)naphthalen-1-yl]methanol;titanium(2+);dichloride?
The InChIKey is FRXQKKWOFSQMMQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H18O.2ClH.Ti/c25-15-23-17-8-2-1-7-16(17)13-14-22(23)24-20-11-5-3-9-18(20)19-10-4-6-12-21(19)24;;;/h1-14,24-25H,15H2;2*1H;/q;;;+2/p-2.
What are the key properties of [2-(9H-fluoren-9-yl)naphthalen-1-yl]methanol;titanium(2+);dichloride?
[2-(9H-fluoren-9-yl)naphthalen-1-yl]methanol;titanium(2+);dichloride has a molecular weight of 441.18 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-fluoren-9-yl)naphthalen-1-yl]methanol;titanium(2+);dichloride is sourced from PubChem (CID 87494961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).