1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene

C26H34N2Si — CID 135008525

IUPAC1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene
SMILESCC(C)(C)N1C=CN(C(C)(C)C)[Si]12C(c1ccccc1)C=CC2c1ccccc1
InChIInChI=1S/C26H34N2Si/c1-25(2,3)27-19-20-28(26(4,5)6)29(27)23(21-13-9-7-10-14-21)17-18-24(29)22-15-11-8-12-16-22/h7-20,23-24H,1-6H3
InChIKeyMZCKXRMIASSVDU-UHFFFAOYSA-N
MW402.66 g/mol
LogP6.33
Rot. Bonds2

About 1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene

1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene (PubChem CID 135008525) has the molecular formula C26H34N2Si and a molecular weight of 402.66 g/mol. Its IUPAC name is 1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene.

Molecular Properties

Compound Name1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene
PubChem CID135008525
Molecular FormulaC26H34N2Si
Molecular Weight402.66 g/mol
Exact Mass402.25
IUPAC Name1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene
SMILESCC(C)(C)N1C=CN(C(C)(C)C)[Si]12C(c1ccccc1)C=CC2c1ccccc1
InChIInChI=1S/C26H34N2Si/c1-25(2,3)27-19-20-28(26(4,5)6)29(27)23(21-13-9-7-10-14-21)17-18-24(29)22-15-11-8-12-16-22/h7-20,23-24H,1-6H3
InChIKeyMZCKXRMIASSVDU-UHFFFAOYSA-N
XLogP6.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.66
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene with MolForge

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Related Compounds

2-Bromo-1,3-ditert-butyl-2-(4-tert-butylphenyl)-1,3,2-diazasilole
CID 135053494
N-[dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]silyl]-N-ethylethanamine
CID 140798512
N-[dimethyl-[4-(1-phenylethenyl)phenyl]silyl]-N-ethylethanamine
CID 140798535
2-Benzyl-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-chloro-1,3,2-diazasilol-2-yl)-1,3,2-diazasilole
CID 11421020
Diethylaminodiphenylmethylsilane
CID 129828651
(6S,9R)-1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene
CID 134901450
CID 134902549
CID 134902549
1,1,3,3-tetramethyl-2-[(Z)-3-phenylprop-1-enyl]-2,1,3-benzazadisilole
CID 134932623
2-Bromo-1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilole
CID 135007639
2-Bromo-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilol-2-yl)-1,3,2-diazasilole
CID 135007640
2-bromo-1,3-ditert-butyl-2-(9H-fluoren-9-yl)-1,3,2-diazasilole
CID 135007794
2-Benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilole
CID 135053508

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene?
The IUPAC name of 1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene (CID 135008525) is 1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene.
What is the SMILES notation for 1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene?
The canonical SMILES for 1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene is CC(C)(C)N1C=CN(C(C)(C)C)[Si]12C(c1ccccc1)C=CC2c1ccccc1.
What is the InChIKey of 1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene?
The InChIKey is MZCKXRMIASSVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2Si/c1-25(2,3)27-19-20-28(26(4,5)6)29(27)23(21-13-9-7-10-14-21)17-18-24(29)22-15-11-8-12-16-22/h7-20,23-24H,1-6H3.
What are the key properties of 1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene?
1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene has a molecular weight of 402.66 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene is sourced from PubChem (CID 135008525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).