1-[2-(1,2-dihydroinden-2-id-1-yl)ethyl]-1,2-dihydroinden-2-ide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)

C40H30O2Ti — CID 2755404

About 1-[2-(1,2-dihydroinden-2-id-1-yl)ethyl]-1,2-dihydroinden-2-ide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)

1-[2-(1,2-dihydroinden-2-id-1-yl)ethyl]-1,2-dihydroinden-2-ide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+) (PubChem CID 2755404) has the molecular formula C40H30O2Ti and a molecular weight of 590.55 g/mol. Its IUPAC name is 1-[2-(1,2-dihydroinden-2-id-1-yl)ethyl]-1,2-dihydroinden-2-ide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+).

Molecular Properties

• Compound Name: 1-[2-(1,2-dihydroinden-2-id-1-yl)ethyl]-1,2-dihydroinden-2-ide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)
• PubChem CID: 2755404
• Molecular Formula: C40H30O2Ti
• Molecular Weight: 590.55 g/mol
• Exact Mass: 590.17
• IUPAC Name: 1-[2-(1,2-dihydroinden-2-id-1-yl)ethyl]-1,2-dihydroinden-2-ide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)
• SMILES: Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.[C-]1=Cc2ccccc2C1CCC1[C-]=Cc2ccccc21.[Ti+2]
• InChI: InChI=1S/C20H14O2.C20H16.Ti/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;/h1-12,21-22H;1-10,17-18H,13-14H2;/q;-2;+2
• InChIKey: JQTXUSHURVFNAT-UHFFFAOYSA-N
• XLogP: 10.06
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.55
LogP ≤ 5	10.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-dihydroinden-2-id-1-yl)ethyl]-1,2-dihydroinden-2-ide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)?

The IUPAC name of 1-[2-(1,2-dihydroinden-2-id-1-yl)ethyl]-1,2-dihydroinden-2-ide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+) (CID 2755404) is 1-[2-(1,2-dihydroinden-2-id-1-yl)ethyl]-1,2-dihydroinden-2-ide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+).

What is the SMILES notation for 1-[2-(1,2-dihydroinden-2-id-1-yl)ethyl]-1,2-dihydroinden-2-ide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)?

The canonical SMILES for 1-[2-(1,2-dihydroinden-2-id-1-yl)ethyl]-1,2-dihydroinden-2-ide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+) is Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.[C-]1=Cc2ccccc2C1CCC1[C-]=Cc2ccccc21.[Ti+2].

What is the InChIKey of 1-[2-(1,2-dihydroinden-2-id-1-yl)ethyl]-1,2-dihydroinden-2-ide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)?

The InChIKey is JQTXUSHURVFNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2.C20H16.Ti/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;/h1-12,21-22H;1-10,17-18H,13-14H2;/q;-2;+2.

What are the key properties of 1-[2-(1,2-dihydroinden-2-id-1-yl)ethyl]-1,2-dihydroinden-2-ide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)?

1-[2-(1,2-dihydroinden-2-id-1-yl)ethyl]-1,2-dihydroinden-2-ide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+) has a molecular weight of 590.55 g/mol, XLogP of 10.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(1,2-dihydroinden-2-id-1-yl)ethyl]-1,2-dihydroinden-2-ide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+) is sourced from PubChem (CID 2755404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).