4-N,5-N-dinaphthalen-1-yl-1,8-bis(trimethylsilyloxy)octane-4,5-diimine

C34H44N2O2Si2 — CID 21131710

IUPAC4-N,5-N-dinaphthalen-1-yl-1,8-bis(trimethylsilyloxy)octane-4,5-diimine
SMILESC[Si](C)(C)OCCCC(=N\c1cccc2ccccc12)/C(CCCO[Si](C)(C)C)=N/c1cccc2ccccc12
InChIInChI=1S/C34H44N2O2Si2/c1-39(2,3)37-25-13-23-33(35-31-21-11-17-27-15-7-9-19-29(27)31)34(24-14-26-38-40(4,5)6)36-32-22-12-18-28-16-8-10-20-30(28)32/h7-12,15-22H,13-14,23-26H2,1-6H3/b35-33+,36-34+
InChIKeyMFYSHFKRWSAKBN-LBYUQGKWSA-N
MW568.91 g/mol
LogP10.10
Rot. Bonds13

About 4-N,5-N-dinaphthalen-1-yl-1,8-bis(trimethylsilyloxy)octane-4,5-diimine

4-N,5-N-dinaphthalen-1-yl-1,8-bis(trimethylsilyloxy)octane-4,5-diimine (PubChem CID 21131710) has the molecular formula C34H44N2O2Si2 and a molecular weight of 568.91 g/mol. Its IUPAC name is 4-N,5-N-dinaphthalen-1-yl-1,8-bis(trimethylsilyloxy)octane-4,5-diimine.

Molecular Properties

Compound Name4-N,5-N-dinaphthalen-1-yl-1,8-bis(trimethylsilyloxy)octane-4,5-diimine
PubChem CID21131710
Molecular FormulaC34H44N2O2Si2
Molecular Weight568.91 g/mol
Exact Mass568.29
IUPAC Name4-N,5-N-dinaphthalen-1-yl-1,8-bis(trimethylsilyloxy)octane-4,5-diimine
SMILESC[Si](C)(C)OCCCC(=N\c1cccc2ccccc12)/C(CCCO[Si](C)(C)C)=N/c1cccc2ccccc12
InChIInChI=1S/C34H44N2O2Si2/c1-39(2,3)37-25-13-23-33(35-31-21-11-17-27-15-7-9-19-29(27)31)34(24-14-26-38-40(4,5)6)36-32-22-12-18-28-16-8-10-20-30(28)32/h7-12,15-22H,13-14,23-26H2,1-6H3/b35-33+,36-34+
InChIKeyMFYSHFKRWSAKBN-LBYUQGKWSA-N
XLogP10.10
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.91
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,5-N-dinaphthalen-1-yl-1,8-bis(trimethylsilyloxy)octane-4,5-diimine?
The IUPAC name of 4-N,5-N-dinaphthalen-1-yl-1,8-bis(trimethylsilyloxy)octane-4,5-diimine (CID 21131710) is 4-N,5-N-dinaphthalen-1-yl-1,8-bis(trimethylsilyloxy)octane-4,5-diimine.
What is the SMILES notation for 4-N,5-N-dinaphthalen-1-yl-1,8-bis(trimethylsilyloxy)octane-4,5-diimine?
The canonical SMILES for 4-N,5-N-dinaphthalen-1-yl-1,8-bis(trimethylsilyloxy)octane-4,5-diimine is C[Si](C)(C)OCCCC(=N\c1cccc2ccccc12)/C(CCCO[Si](C)(C)C)=N/c1cccc2ccccc12.
What is the InChIKey of 4-N,5-N-dinaphthalen-1-yl-1,8-bis(trimethylsilyloxy)octane-4,5-diimine?
The InChIKey is MFYSHFKRWSAKBN-LBYUQGKWSA-N. The full InChI is InChI=1S/C34H44N2O2Si2/c1-39(2,3)37-25-13-23-33(35-31-21-11-17-27-15-7-9-19-29(27)31)34(24-14-26-38-40(4,5)6)36-32-22-12-18-28-16-8-10-20-30(28)32/h7-12,15-22H,13-14,23-26H2,1-6H3/b35-33+,36-34+.
What are the key properties of 4-N,5-N-dinaphthalen-1-yl-1,8-bis(trimethylsilyloxy)octane-4,5-diimine?
4-N,5-N-dinaphthalen-1-yl-1,8-bis(trimethylsilyloxy)octane-4,5-diimine has a molecular weight of 568.91 g/mol, XLogP of 10.10, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-dinaphthalen-1-yl-1,8-bis(trimethylsilyloxy)octane-4,5-diimine is sourced from PubChem (CID 21131710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).