carbanide;hexane-1,6-diol;bis(8-(2,3,4,5-tetramethylcyclopentyl)-3,4-dihydro-2H-quinolin-1-ide);bis(titanium(3+))

C46H78N2O2Ti2 — CID 140711158

About carbanide;hexane-1,6-diol;bis(8-(2,3,4,5-tetramethylcyclopentyl)-3,4-dihydro-2H-quinolin-1-ide);bis(titanium(3+))

carbanide;hexane-1,6-diol;bis(8-(2,3,4,5-tetramethylcyclopentyl)-3,4-dihydro-2H-quinolin-1-ide);bis(titanium(3+)) (PubChem CID 140711158) has the molecular formula C46H78N2O2Ti2 and a molecular weight of 786.88 g/mol. Its IUPAC name is carbanide;hexane-1,6-diol;bis(8-(2,3,4,5-tetramethylcyclopentyl)-3,4-dihydro-2H-quinolin-1-ide);bis(titanium(3+)).

Molecular Properties

• Compound Name: carbanide;hexane-1,6-diol;bis(8-(2,3,4,5-tetramethylcyclopentyl)-3,4-dihydro-2H-quinolin-1-ide);bis(titanium(3+))
• PubChem CID: 140711158
• Molecular Formula: C46H78N2O2Ti2
• Molecular Weight: 786.88 g/mol
• Exact Mass: 786.50
• IUPAC Name: carbanide;hexane-1,6-diol;bis(8-(2,3,4,5-tetramethylcyclopentyl)-3,4-dihydro-2H-quinolin-1-ide);bis(titanium(3+))
• SMILES: CC1C(C)C(C)C(c2cccc3c2[N-]CCC3)C1C.CC1C(C)C(C)C(c2cccc3c2[N-]CCC3)C1C.OCCCCCCO.[CH3-].[CH3-].[CH3-].[CH3-].[Ti+3].[Ti+3]
• InChI: InChI=1S/2C18H26N.C6H14O2.4CH3.2Ti/c2*1-11-12(2)14(4)17(13(11)3)16-9-5-7-15-8-6-10-19-18(15)16;7-5-3-1-2-4-6-8;;;;;;/h2*5,7,9,11-14,17H,6,8,10H2,1-4H3;7-8H,1-6H2;4*1H3;;/q2*-1;;4*-1;2*+3
• InChIKey: NIMQENZLZNPTCM-UHFFFAOYSA-N
• XLogP: 12.89
• TPSA: 68.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	786.88
LogP ≤ 5	12.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;hexane-1,6-diol;bis(8-(2,3,4,5-tetramethylcyclopentyl)-3,4-dihydro-2H-quinolin-1-ide);bis(titanium(3+))?

The IUPAC name of carbanide;hexane-1,6-diol;bis(8-(2,3,4,5-tetramethylcyclopentyl)-3,4-dihydro-2H-quinolin-1-ide);bis(titanium(3+)) (CID 140711158) is carbanide;hexane-1,6-diol;bis(8-(2,3,4,5-tetramethylcyclopentyl)-3,4-dihydro-2H-quinolin-1-ide);bis(titanium(3+)).

What is the SMILES notation for carbanide;hexane-1,6-diol;bis(8-(2,3,4,5-tetramethylcyclopentyl)-3,4-dihydro-2H-quinolin-1-ide);bis(titanium(3+))?

The canonical SMILES for carbanide;hexane-1,6-diol;bis(8-(2,3,4,5-tetramethylcyclopentyl)-3,4-dihydro-2H-quinolin-1-ide);bis(titanium(3+)) is CC1C(C)C(C)C(c2cccc3c2[N-]CCC3)C1C.CC1C(C)C(C)C(c2cccc3c2[N-]CCC3)C1C.OCCCCCCO.[CH3-].[CH3-].[CH3-].[CH3-].[Ti+3].[Ti+3].

What is the InChIKey of carbanide;hexane-1,6-diol;bis(8-(2,3,4,5-tetramethylcyclopentyl)-3,4-dihydro-2H-quinolin-1-ide);bis(titanium(3+))?

The InChIKey is NIMQENZLZNPTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H26N.C6H14O2.4CH3.2Ti/c2*1-11-12(2)14(4)17(13(11)3)16-9-5-7-15-8-6-10-19-18(15)16;7-5-3-1-2-4-6-8;;;;;;/h2*5,7,9,11-14,17H,6,8,10H2,1-4H3;7-8H,1-6H2;4*1H3;;/q2*-1;;4*-1;2*+3.

What are the key properties of carbanide;hexane-1,6-diol;bis(8-(2,3,4,5-tetramethylcyclopentyl)-3,4-dihydro-2H-quinolin-1-ide);bis(titanium(3+))?

carbanide;hexane-1,6-diol;bis(8-(2,3,4,5-tetramethylcyclopentyl)-3,4-dihydro-2H-quinolin-1-ide);bis(titanium(3+)) has a molecular weight of 786.88 g/mol, XLogP of 12.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;hexane-1,6-diol;bis(8-(2,3,4,5-tetramethylcyclopentyl)-3,4-dihydro-2H-quinolin-1-ide);bis(titanium(3+)) is sourced from PubChem (CID 140711158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).