7-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]-1,9-dihydrofluoren-1-ide;titanium

C26H27Ti- — CID 174651744

IUPAC7-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]-1,9-dihydrofluoren-1-ide;titanium
SMILESCC(C)c1ccc2c(c1)Cc1[c-]c(Cc3ccccc3C(C)C)ccc1-2.[Ti]
InChIInChI=1S/C26H27.Ti/c1-17(2)20-10-12-26-23(15-20)16-22-14-19(9-11-25(22)26)13-21-7-5-6-8-24(21)18(3)4;/h5-12,15,17-18H,13,16H2,1-4H3;/q-1;
InChIKeyCCBHLAKNQRWXLP-UHFFFAOYSA-N
MW387.37 g/mol
LogP6.89
Rot. Bonds4

About 7-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]-1,9-dihydrofluoren-1-ide;titanium

7-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]-1,9-dihydrofluoren-1-ide;titanium (PubChem CID 174651744) has the molecular formula C26H27Ti- and a molecular weight of 387.37 g/mol. Its IUPAC name is 7-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]-1,9-dihydrofluoren-1-ide;titanium.

Molecular Properties

Compound Name7-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]-1,9-dihydrofluoren-1-ide;titanium
PubChem CID174651744
Molecular FormulaC26H27Ti-
Molecular Weight387.37 g/mol
Exact Mass387.16
IUPAC Name7-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]-1,9-dihydrofluoren-1-ide;titanium
SMILESCC(C)c1ccc2c(c1)Cc1[c-]c(Cc3ccccc3C(C)C)ccc1-2.[Ti]
InChIInChI=1S/C26H27.Ti/c1-17(2)20-10-12-26-23(15-20)16-22-14-19(9-11-25(22)26)13-21-7-5-6-8-24(21)18(3)4;/h5-12,15,17-18H,13,16H2,1-4H3;/q-1;
InChIKeyCCBHLAKNQRWXLP-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.37
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]-1,9-dihydrofluoren-1-ide;titanium?
The IUPAC name of 7-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]-1,9-dihydrofluoren-1-ide;titanium (CID 174651744) is 7-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]-1,9-dihydrofluoren-1-ide;titanium.
What is the SMILES notation for 7-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]-1,9-dihydrofluoren-1-ide;titanium?
The canonical SMILES for 7-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]-1,9-dihydrofluoren-1-ide;titanium is CC(C)c1ccc2c(c1)Cc1[c-]c(Cc3ccccc3C(C)C)ccc1-2.[Ti].
What is the InChIKey of 7-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]-1,9-dihydrofluoren-1-ide;titanium?
The InChIKey is CCBHLAKNQRWXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27.Ti/c1-17(2)20-10-12-26-23(15-20)16-22-14-19(9-11-25(22)26)13-21-7-5-6-8-24(21)18(3)4;/h5-12,15,17-18H,13,16H2,1-4H3;/q-1;.
What are the key properties of 7-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]-1,9-dihydrofluoren-1-ide;titanium?
7-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]-1,9-dihydrofluoren-1-ide;titanium has a molecular weight of 387.37 g/mol, XLogP of 6.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]-1,9-dihydrofluoren-1-ide;titanium is sourced from PubChem (CID 174651744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).