carbanide;dichlorotitanium;bis(1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene);methane

C67H110Cl2Ti-2 — CID 162271583

IUPACcarbanide;dichlorotitanium;bis(1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene);methane
SMILESC.CC1=C(C)C2C(C)C(C)C(CCC3C(C)C(C)C4C(C)=C(C)C(C)=C(C)C34)C2C(C)=C1C.CC1=C(C)C2C(C)C(C)C(CCC3C(C)C(C)C4C(C)=C(C)C(C)=C(C)C34)C2C(C)=C1C.Cl[Ti]Cl.[CH3-].[CH3-]
InChIInChI=1S/2C32H50.CH4.2CH3.2ClH.Ti/c2*1-15-17(3)23(9)31-27(19(5)25(11)29(31)21(15)7)13-14-28-20(6)26(12)30-22(8)16(2)18(4)24(10)32(28)30;;;;;;/h2*19-20,25-32H,13-14H2,1-12H3;1H4;2*1H3;2*1H;/q;;;2*-1;;;+2/p-2
InChIKeyTZXQVGPGFAJFLR-UHFFFAOYSA-L
MW1034.39 g/mol
LogP21.73
Rot. Bonds6

About carbanide;dichlorotitanium;bis(1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene);methane

carbanide;dichlorotitanium;bis(1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene);methane (PubChem CID 162271583) has the molecular formula C67H110Cl2Ti-2 and a molecular weight of 1034.39 g/mol. Its IUPAC name is carbanide;dichlorotitanium;bis(1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene);methane.

Molecular Properties

Compound Namecarbanide;dichlorotitanium;bis(1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene);methane
PubChem CID162271583
Molecular FormulaC67H110Cl2Ti-2
Molecular Weight1034.39 g/mol
Exact Mass1032.75
IUPAC Namecarbanide;dichlorotitanium;bis(1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene);methane
SMILESC.CC1=C(C)C2C(C)C(C)C(CCC3C(C)C(C)C4C(C)=C(C)C(C)=C(C)C34)C2C(C)=C1C.CC1=C(C)C2C(C)C(C)C(CCC3C(C)C(C)C4C(C)=C(C)C(C)=C(C)C34)C2C(C)=C1C.Cl[Ti]Cl.[CH3-].[CH3-]
InChIInChI=1S/2C32H50.CH4.2CH3.2ClH.Ti/c2*1-15-17(3)23(9)31-27(19(5)25(11)29(31)21(15)7)13-14-28-20(6)26(12)30-22(8)16(2)18(4)24(10)32(28)30;;;;;;/h2*19-20,25-32H,13-14H2,1-12H3;1H4;2*1H3;2*1H;/q;;;2*-1;;;+2/p-2
InChIKeyTZXQVGPGFAJFLR-UHFFFAOYSA-L
XLogP21.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001034.39
LogP ≤ 521.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbanide;dichlorotitanium;bis(1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene);methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;dichlorotitanium;bis(1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene);methane?
The IUPAC name of carbanide;dichlorotitanium;bis(1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene);methane (CID 162271583) is carbanide;dichlorotitanium;bis(1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene);methane.
What is the SMILES notation for carbanide;dichlorotitanium;bis(1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene);methane?
The canonical SMILES for carbanide;dichlorotitanium;bis(1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene);methane is C.CC1=C(C)C2C(C)C(C)C(CCC3C(C)C(C)C4C(C)=C(C)C(C)=C(C)C34)C2C(C)=C1C.CC1=C(C)C2C(C)C(C)C(CCC3C(C)C(C)C4C(C)=C(C)C(C)=C(C)C34)C2C(C)=C1C.Cl[Ti]Cl.[CH3-].[CH3-].
What is the InChIKey of carbanide;dichlorotitanium;bis(1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene);methane?
The InChIKey is TZXQVGPGFAJFLR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C32H50.CH4.2CH3.2ClH.Ti/c2*1-15-17(3)23(9)31-27(19(5)25(11)29(31)21(15)7)13-14-28-20(6)26(12)30-22(8)16(2)18(4)24(10)32(28)30;;;;;;/h2*19-20,25-32H,13-14H2,1-12H3;1H4;2*1H3;2*1H;/q;;;2*-1;;;+2/p-2.
What are the key properties of carbanide;dichlorotitanium;bis(1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene);methane?
carbanide;dichlorotitanium;bis(1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene);methane has a molecular weight of 1034.39 g/mol, XLogP of 21.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dichlorotitanium;bis(1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene);methane is sourced from PubChem (CID 162271583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).