4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine

C30H46N4O6Si2 — CID 21131722

IUPAC4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine
SMILESCc1cc([N+](=O)[O-])cc(C)c1/N=C(CCCO[Si](C)(C)C)/C(CCCO[Si](C)(C)C)=N/c1c(C)cc([N+](=O)[O-])cc1C
InChIInChI=1S/C30H46N4O6Si2/c1-21-17-25(33(35)36)18-22(2)29(21)31-27(13-11-15-39-41(5,6)7)28(14-12-16-40-42(8,9)10)32-30-23(3)19-26(34(37)38)20-24(30)4/h17-20H,11-16H2,1-10H3/b31-27+,32-28+
InChIKeyLDQOGLRXIRABCD-WWQQVGJXSA-N
MW614.89 g/mol
LogP8.85
Rot. Bonds15

About 4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine

4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine (PubChem CID 21131722) has the molecular formula C30H46N4O6Si2 and a molecular weight of 614.89 g/mol. Its IUPAC name is 4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine.

Molecular Properties

Compound Name4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine
PubChem CID21131722
Molecular FormulaC30H46N4O6Si2
Molecular Weight614.89 g/mol
Exact Mass614.30
IUPAC Name4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine
SMILESCc1cc([N+](=O)[O-])cc(C)c1/N=C(CCCO[Si](C)(C)C)/C(CCCO[Si](C)(C)C)=N/c1c(C)cc([N+](=O)[O-])cc1C
InChIInChI=1S/C30H46N4O6Si2/c1-21-17-25(33(35)36)18-22(2)29(21)31-27(13-11-15-39-41(5,6)7)28(14-12-16-40-42(8,9)10)32-30-23(3)19-26(34(37)38)20-24(30)4/h17-20H,11-16H2,1-10H3/b31-27+,32-28+
InChIKeyLDQOGLRXIRABCD-WWQQVGJXSA-N
XLogP8.85
TPSA129.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.89
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine?
The IUPAC name of 4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine (CID 21131722) is 4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine.
What is the SMILES notation for 4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine?
The canonical SMILES for 4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine is Cc1cc([N+](=O)[O-])cc(C)c1/N=C(CCCO[Si](C)(C)C)/C(CCCO[Si](C)(C)C)=N/c1c(C)cc([N+](=O)[O-])cc1C.
What is the InChIKey of 4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine?
The InChIKey is LDQOGLRXIRABCD-WWQQVGJXSA-N. The full InChI is InChI=1S/C30H46N4O6Si2/c1-21-17-25(33(35)36)18-22(2)29(21)31-27(13-11-15-39-41(5,6)7)28(14-12-16-40-42(8,9)10)32-30-23(3)19-26(34(37)38)20-24(30)4/h17-20H,11-16H2,1-10H3/b31-27+,32-28+.
What are the key properties of 4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine?
4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine has a molecular weight of 614.89 g/mol, XLogP of 8.85, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine is sourced from PubChem (CID 21131722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).