carbanide;6-phenylhexa-2,4-dienylbenzene;silane;titanium(2+)

C20H28SiTi — CID 173208197

IUPACcarbanide;6-phenylhexa-2,4-dienylbenzene;silane;titanium(2+)
SMILESC(C=CCc1ccccc1)=CCc1ccccc1.[CH3-].[CH3-].[SiH4].[Ti+2]
InChIInChI=1S/C18H18.2CH3.H4Si.Ti/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18;;;;/h1-10,13-16H,11-12H2;2*1H3;1H4;/q;2*-1;;+2
InChIKeyXFZQULPYRGJFSP-UHFFFAOYSA-N
MW344.40 g/mol
LogP4.03
Rot. Bonds5

About carbanide;6-phenylhexa-2,4-dienylbenzene;silane;titanium(2+)

carbanide;6-phenylhexa-2,4-dienylbenzene;silane;titanium(2+) (PubChem CID 173208197) has the molecular formula C20H28SiTi and a molecular weight of 344.40 g/mol. Its IUPAC name is carbanide;6-phenylhexa-2,4-dienylbenzene;silane;titanium(2+).

Molecular Properties

Compound Namecarbanide;6-phenylhexa-2,4-dienylbenzene;silane;titanium(2+)
PubChem CID173208197
Molecular FormulaC20H28SiTi
Molecular Weight344.40 g/mol
Exact Mass344.14
IUPAC Namecarbanide;6-phenylhexa-2,4-dienylbenzene;silane;titanium(2+)
SMILESC(C=CCc1ccccc1)=CCc1ccccc1.[CH3-].[CH3-].[SiH4].[Ti+2]
InChIInChI=1S/C18H18.2CH3.H4Si.Ti/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18;;;;/h1-10,13-16H,11-12H2;2*1H3;1H4;/q;2*-1;;+2
InChIKeyXFZQULPYRGJFSP-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-phenylhexa-2,4-dienylbenzene;titanium
CID 161467723
5-bromopenta-2,4-dienylbenzene
CID 71379165
(E)-N,4-diphenylbut-2-en-1-imine
CID 58165742
5-chloropent-2-enylbenzene
CID 79603176
4-phenylbut-2-ene-1-thiol
CID 54126363
CID 173481561
CID 173481561
(2Z,5Z,7Z)-N,N-diethyl-9-phenylnona-2,5,7-trien-1-amine
CID 101206038
CID 173215164
CID 173215164
4-(4-phenylbut-2-enyl)phenol
CID 66608492
4-[(E)-4-phenylbut-2-enyl]phenol
CID 66608491
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114

Frequently Asked Questions

What is the IUPAC name of carbanide;6-phenylhexa-2,4-dienylbenzene;silane;titanium(2+)?
The IUPAC name of carbanide;6-phenylhexa-2,4-dienylbenzene;silane;titanium(2+) (CID 173208197) is carbanide;6-phenylhexa-2,4-dienylbenzene;silane;titanium(2+).
What is the SMILES notation for carbanide;6-phenylhexa-2,4-dienylbenzene;silane;titanium(2+)?
The canonical SMILES for carbanide;6-phenylhexa-2,4-dienylbenzene;silane;titanium(2+) is C(C=CCc1ccccc1)=CCc1ccccc1.[CH3-].[CH3-].[SiH4].[Ti+2].
What is the InChIKey of carbanide;6-phenylhexa-2,4-dienylbenzene;silane;titanium(2+)?
The InChIKey is XFZQULPYRGJFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18.2CH3.H4Si.Ti/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18;;;;/h1-10,13-16H,11-12H2;2*1H3;1H4;/q;2*-1;;+2.
What are the key properties of carbanide;6-phenylhexa-2,4-dienylbenzene;silane;titanium(2+)?
carbanide;6-phenylhexa-2,4-dienylbenzene;silane;titanium(2+) has a molecular weight of 344.40 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;6-phenylhexa-2,4-dienylbenzene;silane;titanium(2+) is sourced from PubChem (CID 173208197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).