carbanide;1-(2,3,4,5-tetramethylcyclopentyl)phenoxazin-10-ide;titanium(4+)

C24H33NOTi — CID 164704449

IUPACcarbanide;1-(2,3,4,5-tetramethylcyclopentyl)phenoxazin-10-ide;titanium(4+)
SMILESCC1C(C)C(C)C(c2cccc3c2[N-]c2ccccc2O3)C1C.[CH3-].[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C21H24NO.3CH3.Ti/c1-12-13(2)15(4)20(14(12)3)16-8-7-11-19-21(16)22-17-9-5-6-10-18(17)23-19;;;;/h5-15,20H,1-4H3;3*1H3;/q4*-1;+4
InChIKeyQKQQIITWJOOYGU-UHFFFAOYSA-N
MW399.40 g/mol
LogP8.12
Rot. Bonds1

About carbanide;1-(2,3,4,5-tetramethylcyclopentyl)phenoxazin-10-ide;titanium(4+)

carbanide;1-(2,3,4,5-tetramethylcyclopentyl)phenoxazin-10-ide;titanium(4+) (PubChem CID 164704449) has the molecular formula C24H33NOTi and a molecular weight of 399.40 g/mol. Its IUPAC name is carbanide;1-(2,3,4,5-tetramethylcyclopentyl)phenoxazin-10-ide;titanium(4+).

Molecular Properties

Compound Namecarbanide;1-(2,3,4,5-tetramethylcyclopentyl)phenoxazin-10-ide;titanium(4+)
PubChem CID164704449
Molecular FormulaC24H33NOTi
Molecular Weight399.40 g/mol
Exact Mass399.20
IUPAC Namecarbanide;1-(2,3,4,5-tetramethylcyclopentyl)phenoxazin-10-ide;titanium(4+)
SMILESCC1C(C)C(C)C(c2cccc3c2[N-]c2ccccc2O3)C1C.[CH3-].[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C21H24NO.3CH3.Ti/c1-12-13(2)15(4)20(14(12)3)16-8-7-11-19-21(16)22-17-9-5-6-10-18(17)23-19;;;;/h5-15,20H,1-4H3;3*1H3;/q4*-1;+4
InChIKeyQKQQIITWJOOYGU-UHFFFAOYSA-N
XLogP8.12
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.40
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbanide;7-(2,3,4,5-tetramethylcyclopentyl)-2,3-dihydroindol-1-ide;titanium(4+)
CID 58351221
9-methyl-9H-xanthene;propane
CID 143256907
8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 22895103
(1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene
CID 58834632
N,N-diethyl-9-methyl-9H-xanthen-1-amine
CID 69463220
9H-xanthen-9-ylazanium
CID 51652356
10,10-dibromophenoxaselenine
CID 165349920
carbanide;hexane-1,6-diol;bis(8-(2,3,4,5-tetramethylcyclopentyl)-3,4-dihydro-2H-quinolin-1-ide);bis(titanium(3+))
CID 140711158
7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane
CID 159809006
9-(2,3-diethylphenyl)-9H-xanthene
CID 67026470
6-propan-2-yl-6H-benzo[b][1]benzoxepin-5-one
CID 58780285
5-methyl-5H-benzo[d][1,3]benzodioxocin-11-one
CID 70420478

Frequently Asked Questions

What is the IUPAC name of carbanide;1-(2,3,4,5-tetramethylcyclopentyl)phenoxazin-10-ide;titanium(4+)?
The IUPAC name of carbanide;1-(2,3,4,5-tetramethylcyclopentyl)phenoxazin-10-ide;titanium(4+) (CID 164704449) is carbanide;1-(2,3,4,5-tetramethylcyclopentyl)phenoxazin-10-ide;titanium(4+).
What is the SMILES notation for carbanide;1-(2,3,4,5-tetramethylcyclopentyl)phenoxazin-10-ide;titanium(4+)?
The canonical SMILES for carbanide;1-(2,3,4,5-tetramethylcyclopentyl)phenoxazin-10-ide;titanium(4+) is CC1C(C)C(C)C(c2cccc3c2[N-]c2ccccc2O3)C1C.[CH3-].[CH3-].[CH3-].[Ti+4].
What is the InChIKey of carbanide;1-(2,3,4,5-tetramethylcyclopentyl)phenoxazin-10-ide;titanium(4+)?
The InChIKey is QKQQIITWJOOYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24NO.3CH3.Ti/c1-12-13(2)15(4)20(14(12)3)16-8-7-11-19-21(16)22-17-9-5-6-10-18(17)23-19;;;;/h5-15,20H,1-4H3;3*1H3;/q4*-1;+4.
What are the key properties of carbanide;1-(2,3,4,5-tetramethylcyclopentyl)phenoxazin-10-ide;titanium(4+)?
carbanide;1-(2,3,4,5-tetramethylcyclopentyl)phenoxazin-10-ide;titanium(4+) has a molecular weight of 399.40 g/mol, XLogP of 8.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-(2,3,4,5-tetramethylcyclopentyl)phenoxazin-10-ide;titanium(4+) is sourced from PubChem (CID 164704449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).