carbanide;1-[2-[(1R)-4,5,6,7-tetrahydro-1H-inden-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indene;titanium(2+)

C22H32Ti — CID 22831435

IUPACcarbanide;1-[2-[(1R)-4,5,6,7-tetrahydro-1H-inden-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indene;titanium(2+)
SMILESC1=CC(CC[C@@H]2C=CC3=C2CCCC3)C2=C1CCCC2.[CH3-].[CH3-].[Ti+2]
InChIInChI=1S/C20H26.2CH3.Ti/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;;;/h9-12,17-18H,1-8,13-14H2;2*1H3;/q;2*-1;+2/t17-,18?;;;/m0.../s1
InChIKeyMAEZSWCSQXXAQO-HYFUBTONSA-N
MW344.37 g/mol
LogP6.78
Rot. Bonds3

About carbanide;1-[2-[(1R)-4,5,6,7-tetrahydro-1H-inden-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indene;titanium(2+)

carbanide;1-[2-[(1R)-4,5,6,7-tetrahydro-1H-inden-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indene;titanium(2+) (PubChem CID 22831435) has the molecular formula C22H32Ti and a molecular weight of 344.37 g/mol. Its IUPAC name is carbanide;1-[2-[(1R)-4,5,6,7-tetrahydro-1H-inden-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indene;titanium(2+).

Molecular Properties

Compound Namecarbanide;1-[2-[(1R)-4,5,6,7-tetrahydro-1H-inden-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indene;titanium(2+)
PubChem CID22831435
Molecular FormulaC22H32Ti
Molecular Weight344.37 g/mol
Exact Mass344.20
IUPAC Namecarbanide;1-[2-[(1R)-4,5,6,7-tetrahydro-1H-inden-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indene;titanium(2+)
SMILESC1=CC(CC[C@@H]2C=CC3=C2CCCC3)C2=C1CCCC2.[CH3-].[CH3-].[Ti+2]
InChIInChI=1S/C20H26.2CH3.Ti/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;;;/h9-12,17-18H,1-8,13-14H2;2*1H3;/q;2*-1;+2/t17-,18?;;;/m0.../s1
InChIKeyMAEZSWCSQXXAQO-HYFUBTONSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.37
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbanide;1-[2-[(1R)-4,5,6,7-tetrahydro-1H-inden-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indene;titanium(2+) with MolForge

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Related Compounds

lithium;hydride;4,5,6,7-tetrahydro-1H-inden-1-ylsilane
CID 173341675
methanol;1-methyl-4,5,6,7-tetrahydro-1H-indene;titanium
CID 175591795
1-chloro-4,5,6,7-tetrahydro-1H-indene;ethanol;titanium
CID 88524321
1,2,3,3a,6,7,8,9,10,10b-decahydrocyclohepta[e]indene
CID 178126161
1,2,3,3a,6,7,8,8b-octahydro-as-indacene
CID 140735551
heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3(8),11(16),19(24)-triene
CID 101440290
2-dimethylsilylidene-1,1-bis(4,5,6,7-tetrahydro-1H-inden-1-yl)ethanol
CID 19033178
acetaldehyde;ethylidenezirconium(2+);1-[1-(4,5,6,7-tetrahydro-1H-inden-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene
CID 88526747
4-ethyl-2,3,4,5-tetrahydro-1H-indene
CID 142348465
carbanide;1,2,4,5,6,7-hexahydroinden-2-id-1-ylmethylsilane;titanium(4+)
CID 173302708
2-methyl-5,6,7,8-tetrahydro-2H-chromene
CID 59288353
[dimethyl(4,5,6,7-tetrahydro-1H-inden-1-yl)silyl]-dimethyl-(4,5,6,7-tetrahydro-2H-inden-1-yl)silane
CID 57002022

Frequently Asked Questions

What is the IUPAC name of carbanide;1-[2-[(1R)-4,5,6,7-tetrahydro-1H-inden-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indene;titanium(2+)?
The IUPAC name of carbanide;1-[2-[(1R)-4,5,6,7-tetrahydro-1H-inden-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indene;titanium(2+) (CID 22831435) is carbanide;1-[2-[(1R)-4,5,6,7-tetrahydro-1H-inden-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indene;titanium(2+).
What is the SMILES notation for carbanide;1-[2-[(1R)-4,5,6,7-tetrahydro-1H-inden-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indene;titanium(2+)?
The canonical SMILES for carbanide;1-[2-[(1R)-4,5,6,7-tetrahydro-1H-inden-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indene;titanium(2+) is C1=CC(CC[C@@H]2C=CC3=C2CCCC3)C2=C1CCCC2.[CH3-].[CH3-].[Ti+2].
What is the InChIKey of carbanide;1-[2-[(1R)-4,5,6,7-tetrahydro-1H-inden-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indene;titanium(2+)?
The InChIKey is MAEZSWCSQXXAQO-HYFUBTONSA-N. The full InChI is InChI=1S/C20H26.2CH3.Ti/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;;;/h9-12,17-18H,1-8,13-14H2;2*1H3;/q;2*-1;+2/t17-,18?;;;/m0.../s1.
What are the key properties of carbanide;1-[2-[(1R)-4,5,6,7-tetrahydro-1H-inden-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indene;titanium(2+)?
carbanide;1-[2-[(1R)-4,5,6,7-tetrahydro-1H-inden-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indene;titanium(2+) has a molecular weight of 344.37 g/mol, XLogP of 6.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-[2-[(1R)-4,5,6,7-tetrahydro-1H-inden-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indene;titanium(2+) is sourced from PubChem (CID 22831435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).