bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)

C42H42N2O4Ti+2 — CID 135850214

IUPACbis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
SMILESC1CCCC1.C1CCCC1.O=C(O)c1cc(-c2ccccc2)nc2ccccc12.O=C(O)c1cc(-c2ccccc2)nc2ccccc12.[Ti+2]
InChIInChI=1S/2C16H11NO2.2C5H10.Ti/c2*18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;2*1-2-4-5-3-1;/h2*1-10H,(H,18,19);2*1-5H2;/q;;;;+2
InChIKeyFZNZSQBILFAIEJ-UHFFFAOYSA-N
MW686.68 g/mol
LogP11.10
Rot. Bonds4

About bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)

bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+) (PubChem CID 135850214) has the molecular formula C42H42N2O4Ti+2 and a molecular weight of 686.68 g/mol. Its IUPAC name is bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+).

Molecular Properties

Compound Namebis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
PubChem CID135850214
Molecular FormulaC42H42N2O4Ti+2
Molecular Weight686.68 g/mol
Exact Mass686.26
IUPAC Namebis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
SMILESC1CCCC1.C1CCCC1.O=C(O)c1cc(-c2ccccc2)nc2ccccc12.O=C(O)c1cc(-c2ccccc2)nc2ccccc12.[Ti+2]
InChIInChI=1S/2C16H11NO2.2C5H10.Ti/c2*18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;2*1-2-4-5-3-1;/h2*1-10H,(H,18,19);2*1-5H2;/q;;;;+2
InChIKeyFZNZSQBILFAIEJ-UHFFFAOYSA-N
XLogP11.10
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.68
LogP ≤ 511.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
4-(4-carboxyquinolin-2-yl)phenolate
CID 135399143
CID 87530134
CID 87530134
2-phenylquinoline-4-carboxylic acid;prop-1-ene
CID 143187114
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
sodium 2-phenylquinoline-4-carboxylate
CID 23691042
sodium (2-phenylquinoline-4-carbonyl)azanide
CID 140991412
N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide
CID 3554949
2-(3,4-difluorophenyl)quinoline-4-carboxylic acid
CID 4611633

Frequently Asked Questions

What is the IUPAC name of bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)?
The IUPAC name of bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+) (CID 135850214) is bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+).
What is the SMILES notation for bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)?
The canonical SMILES for bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+) is C1CCCC1.C1CCCC1.O=C(O)c1cc(-c2ccccc2)nc2ccccc12.O=C(O)c1cc(-c2ccccc2)nc2ccccc12.[Ti+2].
What is the InChIKey of bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)?
The InChIKey is FZNZSQBILFAIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H11NO2.2C5H10.Ti/c2*18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;2*1-2-4-5-3-1;/h2*1-10H,(H,18,19);2*1-5H2;/q;;;;+2.
What are the key properties of bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)?
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+) has a molecular weight of 686.68 g/mol, XLogP of 11.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+) is sourced from PubChem (CID 135850214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).