bis(tert-butylazanide);dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane;penta-1,3-diene;titanium(2+)

C31H48N2SiTi — CID 157465323

IUPACbis(tert-butylazanide);dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane;penta-1,3-diene;titanium(2+)
SMILESC=CC=CC.CC(C)(C)[NH-].CC(C)(C)[NH-].CC1=Cc2c(-c3ccccc3)cccc2C1[SiH](C)C.[Ti+2]
InChIInChI=1S/C18H20Si.C5H8.2C4H10N.Ti/c1-13-12-17-15(14-8-5-4-6-9-14)10-7-11-16(17)18(13)19(2)3;1-3-5-4-2;2*1-4(2,3)5;/h4-12,18-19H,1-3H3;3-5H,1H2,2H3;2*5H,1-3H3;/q;;2*-1;+2
InChIKeyBUKDFUPVLZCEOW-UHFFFAOYSA-N
MW524.69 g/mol
LogP10.30
Rot. Bonds3

About bis(tert-butylazanide);dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane;penta-1,3-diene;titanium(2+)

bis(tert-butylazanide);dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane;penta-1,3-diene;titanium(2+) (PubChem CID 157465323) has the molecular formula C31H48N2SiTi and a molecular weight of 524.69 g/mol. Its IUPAC name is bis(tert-butylazanide);dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane;penta-1,3-diene;titanium(2+).

Molecular Properties

Compound Namebis(tert-butylazanide);dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane;penta-1,3-diene;titanium(2+)
PubChem CID157465323
Molecular FormulaC31H48N2SiTi
Molecular Weight524.69 g/mol
Exact Mass524.31
IUPAC Namebis(tert-butylazanide);dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane;penta-1,3-diene;titanium(2+)
SMILESC=CC=CC.CC(C)(C)[NH-].CC(C)(C)[NH-].CC1=Cc2c(-c3ccccc3)cccc2C1[SiH](C)C.[Ti+2]
InChIInChI=1S/C18H20Si.C5H8.2C4H10N.Ti/c1-13-12-17-15(14-8-5-4-6-9-14)10-7-11-16(17)18(13)19(2)3;1-3-5-4-2;2*1-4(2,3)5;/h4-12,18-19H,1-3H3;3-5H,1H2,2H3;2*5H,1-3H3;/q;;2*-1;+2
InChIKeyBUKDFUPVLZCEOW-UHFFFAOYSA-N
XLogP10.30
TPSA47.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.69
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;penta-1,3-diene;titanium
CID 162063708
CID 173305494
CID 173305494
dimethyl-bis[(1R)-2-methyl-4-phenyl-1H-inden-1-yl]silane
CID 101111754
bis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane
CID 22994910
CID 69304218
CID 69304218
1,1'-biphenyl;ethane;(3Z,5Z)-hepta-1,3,5-triene;(3Z,5Z)-octa-1,3,5,7-tetraene
CID 145276340
4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;(3Z)-penta-1,3-diene
CID 143893585
N,N-diethyl-2-(2-methyl-4-phenyl-1H-inden-1-yl)aniline
CID 155667322
(3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane
CID 139716355
buta-1,3-diene;(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;2,2-dimethylpropanamide
CID 160643924
(2-methyl-4-phenyl-1H-inden-1-yl)-diphenyl-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)silane
CID 139774717
1-buta-1,3-dienyl-2-phenylbenzene
CID 54164854

Frequently Asked Questions

What is the IUPAC name of bis(tert-butylazanide);dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane;penta-1,3-diene;titanium(2+)?
The IUPAC name of bis(tert-butylazanide);dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane;penta-1,3-diene;titanium(2+) (CID 157465323) is bis(tert-butylazanide);dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane;penta-1,3-diene;titanium(2+).
What is the SMILES notation for bis(tert-butylazanide);dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane;penta-1,3-diene;titanium(2+)?
The canonical SMILES for bis(tert-butylazanide);dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane;penta-1,3-diene;titanium(2+) is C=CC=CC.CC(C)(C)[NH-].CC(C)(C)[NH-].CC1=Cc2c(-c3ccccc3)cccc2C1[SiH](C)C.[Ti+2].
What is the InChIKey of bis(tert-butylazanide);dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane;penta-1,3-diene;titanium(2+)?
The InChIKey is BUKDFUPVLZCEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Si.C5H8.2C4H10N.Ti/c1-13-12-17-15(14-8-5-4-6-9-14)10-7-11-16(17)18(13)19(2)3;1-3-5-4-2;2*1-4(2,3)5;/h4-12,18-19H,1-3H3;3-5H,1H2,2H3;2*5H,1-3H3;/q;;2*-1;+2.
What are the key properties of bis(tert-butylazanide);dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane;penta-1,3-diene;titanium(2+)?
bis(tert-butylazanide);dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane;penta-1,3-diene;titanium(2+) has a molecular weight of 524.69 g/mol, XLogP of 10.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butylazanide);dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane;penta-1,3-diene;titanium(2+) is sourced from PubChem (CID 157465323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).