9-(2-cyclopenta-2,4-dien-1-ylhex-5-en-2-yl)-9H-fluorene;titanium(2+);dichloride

C24H24Cl2Ti — CID 161408642

IUPAC9-(2-cyclopenta-2,4-dien-1-ylhex-5-en-2-yl)-9H-fluorene;titanium(2+);dichloride
SMILESC=CCCC(C)(C1C=CC=C1)C1c2ccccc2-c2ccccc21.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C24H24.2ClH.Ti/c1-3-4-17-24(2,18-11-5-6-12-18)23-21-15-9-7-13-19(21)20-14-8-10-16-22(20)23;;;/h3,5-16,18,23H,1,4,17H2,2H3;2*1H;/q;;;+2/p-2
InChIKeyWWQKLCNSYJWLAL-UHFFFAOYSA-L
MW431.23 g/mol
LogP0.52
Rot. Bonds5

About 9-(2-cyclopenta-2,4-dien-1-ylhex-5-en-2-yl)-9H-fluorene;titanium(2+);dichloride

9-(2-cyclopenta-2,4-dien-1-ylhex-5-en-2-yl)-9H-fluorene;titanium(2+);dichloride (PubChem CID 161408642) has the molecular formula C24H24Cl2Ti and a molecular weight of 431.23 g/mol. Its IUPAC name is 9-(2-cyclopenta-2,4-dien-1-ylhex-5-en-2-yl)-9H-fluorene;titanium(2+);dichloride.

Molecular Properties

Compound Name9-(2-cyclopenta-2,4-dien-1-ylhex-5-en-2-yl)-9H-fluorene;titanium(2+);dichloride
PubChem CID161408642
Molecular FormulaC24H24Cl2Ti
Molecular Weight431.23 g/mol
Exact Mass430.07
IUPAC Name9-(2-cyclopenta-2,4-dien-1-ylhex-5-en-2-yl)-9H-fluorene;titanium(2+);dichloride
SMILESC=CCCC(C)(C1C=CC=C1)C1c2ccccc2-c2ccccc21.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C24H24.2ClH.Ti/c1-3-4-17-24(2,18-11-5-6-12-18)23-21-15-9-7-13-19(21)20-14-8-10-16-22(20)23;;;/h3,5-16,18,23H,1,4,17H2,2H3;2*1H;/q;;;+2/p-2
InChIKeyWWQKLCNSYJWLAL-UHFFFAOYSA-L
XLogP0.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.23
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-(2-cyclopenta-2,4-dien-1-ylhex-5-en-2-yl)-9H-fluorene;titanium(2+);dichloride with MolForge

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Launch Full Analysis

Related Compounds

9-(2-cyclopenta-2,4-dien-1-ylpent-4-en-2-yl)-9H-fluorene
CID 11385650
9-(3-cyclopenta-2,4-dien-1-yl-2-methylhept-6-en-3-yl)-9H-fluorene
CID 159062487
trichloro-[5-cyclopenta-2,4-dien-1-yl-5-(9H-fluoren-9-yl)hexyl]silane
CID 154420962
9-[2-(2-methylcyclopenta-1,3-dien-1-yl)hex-5-en-2-yl]-9H-fluorene;zirconium(2+);dichloride
CID 22572576
9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
9-(1-cyclopentyl-1-phenylpent-4-enyl)-9H-fluorene
CID 91324223
8aH-fluoren-9-yl-but-3-enyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride
CID 173223344
1,1-dichlorohex-5-enyl-bis(9H-fluoren-9-yl)-methylsilane
CID 140967319
9-[cyclopenta-2,4-dien-1-yl-(3-ethenoxyphenyl)-phenylmethyl]-9H-fluorene
CID 170895253
4-but-3-enyl-1-methyl-3,4-dihydroisoquinoline
CID 155931583
9-[bis(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-9H-fluorene
CID 101371835
2-methyl-1-phenylhex-5-en-2-ol
CID 104656177

Frequently Asked Questions

What is the IUPAC name of 9-(2-cyclopenta-2,4-dien-1-ylhex-5-en-2-yl)-9H-fluorene;titanium(2+);dichloride?
The IUPAC name of 9-(2-cyclopenta-2,4-dien-1-ylhex-5-en-2-yl)-9H-fluorene;titanium(2+);dichloride (CID 161408642) is 9-(2-cyclopenta-2,4-dien-1-ylhex-5-en-2-yl)-9H-fluorene;titanium(2+);dichloride.
What is the SMILES notation for 9-(2-cyclopenta-2,4-dien-1-ylhex-5-en-2-yl)-9H-fluorene;titanium(2+);dichloride?
The canonical SMILES for 9-(2-cyclopenta-2,4-dien-1-ylhex-5-en-2-yl)-9H-fluorene;titanium(2+);dichloride is C=CCCC(C)(C1C=CC=C1)C1c2ccccc2-c2ccccc21.[Cl-].[Cl-].[Ti+2].
What is the InChIKey of 9-(2-cyclopenta-2,4-dien-1-ylhex-5-en-2-yl)-9H-fluorene;titanium(2+);dichloride?
The InChIKey is WWQKLCNSYJWLAL-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H24.2ClH.Ti/c1-3-4-17-24(2,18-11-5-6-12-18)23-21-15-9-7-13-19(21)20-14-8-10-16-22(20)23;;;/h3,5-16,18,23H,1,4,17H2,2H3;2*1H;/q;;;+2/p-2.
What are the key properties of 9-(2-cyclopenta-2,4-dien-1-ylhex-5-en-2-yl)-9H-fluorene;titanium(2+);dichloride?
9-(2-cyclopenta-2,4-dien-1-ylhex-5-en-2-yl)-9H-fluorene;titanium(2+);dichloride has a molecular weight of 431.23 g/mol, XLogP of 0.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-cyclopenta-2,4-dien-1-ylhex-5-en-2-yl)-9H-fluorene;titanium(2+);dichloride is sourced from PubChem (CID 161408642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).