bis(2,3-dimethoxy-1,9-dihydrofluoren-1-ide);titanium(2+)

C30H26O4Ti — CID 87295952

IUPACbis(2,3-dimethoxy-1,9-dihydrofluoren-1-ide);titanium(2+)
SMILESCOc1[c-]c2c(cc1OC)-c1ccccc1C2.COc1[c-]c2c(cc1OC)-c1ccccc1C2.[Ti+2]
InChIInChI=1S/2C15H13O2.Ti/c2*1-16-14-8-11-7-10-5-3-4-6-12(10)13(11)9-15(14)17-2;/h2*3-6,9H,7H2,1-2H3;/q2*-1;+2
InChIKeyXAHAGSJPYIAUHK-UHFFFAOYSA-N
MW498.40 g/mol
LogP6.15
Rot. Bonds4

About bis(2,3-dimethoxy-1,9-dihydrofluoren-1-ide);titanium(2+)

bis(2,3-dimethoxy-1,9-dihydrofluoren-1-ide);titanium(2+) (PubChem CID 87295952) has the molecular formula C30H26O4Ti and a molecular weight of 498.40 g/mol. Its IUPAC name is bis(2,3-dimethoxy-1,9-dihydrofluoren-1-ide);titanium(2+).

Molecular Properties

Compound Namebis(2,3-dimethoxy-1,9-dihydrofluoren-1-ide);titanium(2+)
PubChem CID87295952
Molecular FormulaC30H26O4Ti
Molecular Weight498.40 g/mol
Exact Mass498.13
IUPAC Namebis(2,3-dimethoxy-1,9-dihydrofluoren-1-ide);titanium(2+)
SMILESCOc1[c-]c2c(cc1OC)-c1ccccc1C2.COc1[c-]c2c(cc1OC)-c1ccccc1C2.[Ti+2]
InChIInChI=1S/2C15H13O2.Ti/c2*1-16-14-8-11-7-10-5-3-4-6-12(10)13(11)9-15(14)17-2;/h2*3-6,9H,7H2,1-2H3;/q2*-1;+2
InChIKeyXAHAGSJPYIAUHK-UHFFFAOYSA-N
XLogP6.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.40
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethoxy-1-methyl-9H-fluorene
CID 156613196
2,3-dimethyl-1,9-dihydrofluoren-1-ide;bis(5-methylcyclopenta-1,3-diene);zirconium(3+)
CID 151556902
1-(2,3-dimethoxyphenyl)-9H-fluorene
CID 150272251
1-amino-3-methoxy-9H-fluoren-2-ol
CID 141238981
tetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride
CID 18469369
bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride
CID 87200949
methanol;2-methyl-1,9-dihydrofluoren-1-ide;titanium
CID 174331013
12,13-dimethoxynonacyclo[50.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50]hexapentaconta-1(56),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54-tetracosaene-2,23-dione
CID 10101903
2-methyl-1,9-dihydrofluoren-1-ide;trichlorotitanium(1+)
CID 87704393
3-methoxy-9,10-dihydrophenanthren-2-ol
CID 14386782
dichlorozirconium(2+);bis(2-methyl-1,9-dihydrofluoren-1-ide)
CID 87824196
12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one
CID 141002477

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethoxy-1,9-dihydrofluoren-1-ide);titanium(2+)?
The IUPAC name of bis(2,3-dimethoxy-1,9-dihydrofluoren-1-ide);titanium(2+) (CID 87295952) is bis(2,3-dimethoxy-1,9-dihydrofluoren-1-ide);titanium(2+).
What is the SMILES notation for bis(2,3-dimethoxy-1,9-dihydrofluoren-1-ide);titanium(2+)?
The canonical SMILES for bis(2,3-dimethoxy-1,9-dihydrofluoren-1-ide);titanium(2+) is COc1[c-]c2c(cc1OC)-c1ccccc1C2.COc1[c-]c2c(cc1OC)-c1ccccc1C2.[Ti+2].
What is the InChIKey of bis(2,3-dimethoxy-1,9-dihydrofluoren-1-ide);titanium(2+)?
The InChIKey is XAHAGSJPYIAUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H13O2.Ti/c2*1-16-14-8-11-7-10-5-3-4-6-12(10)13(11)9-15(14)17-2;/h2*3-6,9H,7H2,1-2H3;/q2*-1;+2.
What are the key properties of bis(2,3-dimethoxy-1,9-dihydrofluoren-1-ide);titanium(2+)?
bis(2,3-dimethoxy-1,9-dihydrofluoren-1-ide);titanium(2+) has a molecular weight of 498.40 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethoxy-1,9-dihydrofluoren-1-ide);titanium(2+) is sourced from PubChem (CID 87295952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).