2,7-ditert-butyl-1,9-dihydrofluoren-2-ol;titanium

C21H28OTi — CID 174395935

IUPAC2,7-ditert-butyl-1,9-dihydrofluoren-2-ol;titanium
SMILESCC(C)(C)c1ccc2c(c1)CC1=C2C=CC(O)(C(C)(C)C)C1.[Ti]
InChIInChI=1S/C21H28O.Ti/c1-19(2,3)16-7-8-17-14(12-16)11-15-13-21(22,20(4,5)6)10-9-18(15)17;/h7-10,12,22H,11,13H2,1-6H3;
InChIKeyJGBOCHJQDSTYLB-UHFFFAOYSA-N
MW344.32 g/mol
LogP5.03
Rot. Bonds

About 2,7-ditert-butyl-1,9-dihydrofluoren-2-ol;titanium

2,7-ditert-butyl-1,9-dihydrofluoren-2-ol;titanium (PubChem CID 174395935) has the molecular formula C21H28OTi and a molecular weight of 344.32 g/mol. Its IUPAC name is 2,7-ditert-butyl-1,9-dihydrofluoren-2-ol;titanium.

Molecular Properties

Compound Name2,7-ditert-butyl-1,9-dihydrofluoren-2-ol;titanium
PubChem CID174395935
Molecular FormulaC21H28OTi
Molecular Weight344.32 g/mol
Exact Mass344.16
IUPAC Name2,7-ditert-butyl-1,9-dihydrofluoren-2-ol;titanium
SMILESCC(C)(C)c1ccc2c(c1)CC1=C2C=CC(O)(C(C)(C)C)C1.[Ti]
InChIInChI=1S/C21H28O.Ti/c1-19(2,3)16-7-8-17-14(12-16)11-15-13-21(22,20(4,5)6)10-9-18(15)17;/h7-10,12,22H,11,13H2,1-6H3;
InChIKeyJGBOCHJQDSTYLB-UHFFFAOYSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.32
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-ditert-butyl-1,9-dihydrofluoren-2-ol
CID 174384055
2,2,5-tritert-butyl-1,3-dihydroindene
CID 165164993
(2E)-5-tert-butyl-2-hydroxyimino-3H-inden-1-one
CID 24777654
3-tert-butylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 15438926
6-tert-butyl-2,3-dimethylidene-1H-indene
CID 58981235
5-tert-butyl-2,2-difluoro-3H-inden-1-one
CID 67190251
2,6-ditert-butyl-9H-fluorene;dichlorotitanium
CID 174369876
3-tert-butylspiro[9H-anthracene-10,9'-fluorene]
CID 175918743
2,7-ditert-butyl-9-[4-[4-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
CID 11767814
2,7-ditert-butyl-9H-fluorene-4-carbaldehyde
CID 87824712
2-[7-(2-sulfanylpropan-2-yl)-9H-fluoren-2-yl]propane-2-thiol
CID 167021696
5-tert-butyl-5'-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one
CID 170132557

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-1,9-dihydrofluoren-2-ol;titanium?
The IUPAC name of 2,7-ditert-butyl-1,9-dihydrofluoren-2-ol;titanium (CID 174395935) is 2,7-ditert-butyl-1,9-dihydrofluoren-2-ol;titanium.
What is the SMILES notation for 2,7-ditert-butyl-1,9-dihydrofluoren-2-ol;titanium?
The canonical SMILES for 2,7-ditert-butyl-1,9-dihydrofluoren-2-ol;titanium is CC(C)(C)c1ccc2c(c1)CC1=C2C=CC(O)(C(C)(C)C)C1.[Ti].
What is the InChIKey of 2,7-ditert-butyl-1,9-dihydrofluoren-2-ol;titanium?
The InChIKey is JGBOCHJQDSTYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O.Ti/c1-19(2,3)16-7-8-17-14(12-16)11-15-13-21(22,20(4,5)6)10-9-18(15)17;/h7-10,12,22H,11,13H2,1-6H3;.
What are the key properties of 2,7-ditert-butyl-1,9-dihydrofluoren-2-ol;titanium?
2,7-ditert-butyl-1,9-dihydrofluoren-2-ol;titanium has a molecular weight of 344.32 g/mol, XLogP of 5.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-1,9-dihydrofluoren-2-ol;titanium is sourced from PubChem (CID 174395935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).