4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;bis(2-N,3-N-bis(2-methylnaphthalen-1-yl)-6-trimethylsilyloxyhexane-2,3-diimine);2-N,3-N-dinaphthalen-1-yl-6-trimethylsilyloxyhexane-2,3-diimine

C121H150N10O9Si5 — CID 90744181

IUPAC4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;bis(2-N,3-N-bis(2-methylnaphthalen-1-yl)-6-trimethylsilyloxyhexane-2,3-diimine);2-N,3-N-dinaphthalen-1-yl-6-trimethylsilyloxyhexane-2,3-diimine
SMILESCC(=N\c1c(C)ccc2ccccc12)/C(CCCO[Si](C)(C)C)=N/c1c(C)ccc2ccccc12.CC(=N\c1c(C)ccc2ccccc12)/C(CCCO[Si](C)(C)C)=N/c1c(C)ccc2ccccc12.CC(=N\c1cccc2ccccc12)/C(CCCO[Si](C)(C)C)=N/c1cccc2ccccc12.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
InChIInChI=1S/2C31H36N2OSi.C30H46N4O6Si2.C29H32N2OSi/c2*1-22-17-19-25-12-7-9-14-27(25)30(22)32-24(3)29(16-11-21-34-35(4,5)6)33-31-23(2)18-20-26-13-8-10-15-28(26)31;1-21-17-25(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;1-22(30-28-18-9-14-23-12-5-7-16-25(23)28)27(20-11-21-32-33(2,3)4)31-29-19-10-15-24-13-6-8-17-26(24)29/h2*7-10,12-15,17-20H,11,16,21H2,1-6H3;17-20H,11-16H2,1-10H3;5-10,12-19H,11,20-21H2,1-4H3/b2*32-24+,33-29+;31-27+,32-28+;30-22+,31-27+
InChIKeyIWVGKBHUWNSNSM-VTNZCTNRSA-N
MW2029.02 g/mol
LogP35.55
Rot. Bonds39

About 4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;bis(2-N,3-N-bis(2-methylnaphthalen-1-yl)-6-trimethylsilyloxyhexane-2,3-diimine);2-N,3-N-dinaphthalen-1-yl-6-trimethylsilyloxyhexane-2,3-diimine

4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;bis(2-N,3-N-bis(2-methylnaphthalen-1-yl)-6-trimethylsilyloxyhexane-2,3-diimine);2-N,3-N-dinaphthalen-1-yl-6-trimethylsilyloxyhexane-2,3-diimine (PubChem CID 90744181) has the molecular formula C121H150N10O9Si5 and a molecular weight of 2029.02 g/mol. Its IUPAC name is 4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;bis(2-N,3-N-bis(2-methylnaphthalen-1-yl)-6-trimethylsilyloxyhexane-2,3-diimine);2-N,3-N-dinaphthalen-1-yl-6-trimethylsilyloxyhexane-2,3-diimine.

Molecular Properties

Compound Name4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;bis(2-N,3-N-bis(2-methylnaphthalen-1-yl)-6-trimethylsilyloxyhexane-2,3-diimine);2-N,3-N-dinaphthalen-1-yl-6-trimethylsilyloxyhexane-2,3-diimine
PubChem CID90744181
Molecular FormulaC121H150N10O9Si5
Molecular Weight2029.02 g/mol
Exact Mass2027.04
IUPAC Name4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;bis(2-N,3-N-bis(2-methylnaphthalen-1-yl)-6-trimethylsilyloxyhexane-2,3-diimine);2-N,3-N-dinaphthalen-1-yl-6-trimethylsilyloxyhexane-2,3-diimine
SMILESCC(=N\c1c(C)ccc2ccccc12)/C(CCCO[Si](C)(C)C)=N/c1c(C)ccc2ccccc12.CC(=N\c1c(C)ccc2ccccc12)/C(CCCO[Si](C)(C)C)=N/c1c(C)ccc2ccccc12.CC(=N\c1cccc2ccccc12)/C(CCCO[Si](C)(C)C)=N/c1cccc2ccccc12.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
InChIInChI=1S/2C31H36N2OSi.C30H46N4O6Si2.C29H32N2OSi/c2*1-22-17-19-25-12-7-9-14-27(25)30(22)32-24(3)29(16-11-21-34-35(4,5)6)33-31-23(2)18-20-26-13-8-10-15-28(26)31;1-21-17-25(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;1-22(30-28-18-9-14-23-12-5-7-16-25(23)28)27(20-11-21-32-33(2,3)4)31-29-19-10-15-24-13-6-8-17-26(24)29/h2*7-10,12-15,17-20H,11,16,21H2,1-6H3;17-20H,11-16H2,1-10H3;5-10,12-19H,11,20-21H2,1-4H3/b2*32-24+,33-29+;31-27+,32-28+;30-22+,31-27+
InChIKeyIWVGKBHUWNSNSM-VTNZCTNRSA-N
XLogP35.55
TPSA231.31 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds39
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002029.02
LogP ≤ 535.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

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;bis(2-N,3-N-bis(2-methylnaphthalen-1-yl)-6-trimethylsilyloxyhexane-2,3-diimine);2-N,3-N-dinaphthalen-1-yl-6-trimethylsilyloxyhexane-2,3-diimine with MolForge

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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;bis(2-N,3-N-bis(2-methylnaphthalen-1-yl)-6-trimethylsilyloxyhexane-2,3-diimine);2-N,3-N-dinaphthalen-1-yl-6-trimethylsilyloxyhexane-2,3-diimine?
The IUPAC name of 4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;bis(2-N,3-N-bis(2-methylnaphthalen-1-yl)-6-trimethylsilyloxyhexane-2,3-diimine);2-N,3-N-dinaphthalen-1-yl-6-trimethylsilyloxyhexane-2,3-diimine (CID 90744181) is 4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;bis(2-N,3-N-bis(2-methylnaphthalen-1-yl)-6-trimethylsilyloxyhexane-2,3-diimine);2-N,3-N-dinaphthalen-1-yl-6-trimethylsilyloxyhexane-2,3-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;bis(2-N,3-N-bis(2-methylnaphthalen-1-yl)-6-trimethylsilyloxyhexane-2,3-diimine);2-N,3-N-dinaphthalen-1-yl-6-trimethylsilyloxyhexane-2,3-diimine?
The canonical SMILES for 4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;bis(2-N,3-N-bis(2-methylnaphthalen-1-yl)-6-trimethylsilyloxyhexane-2,3-diimine);2-N,3-N-dinaphthalen-1-yl-6-trimethylsilyloxyhexane-2,3-diimine is CC(=N\c1c(C)ccc2ccccc12)/C(CCCO[Si](C)(C)C)=N/c1c(C)ccc2ccccc12.CC(=N\c1c(C)ccc2ccccc12)/C(CCCO[Si](C)(C)C)=N/c1c(C)ccc2ccccc12.CC(=N\c1cccc2ccccc12)/C(CCCO[Si](C)(C)C)=N/c1cccc2ccccc12.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;bis(2-N,3-N-bis(2-methylnaphthalen-1-yl)-6-trimethylsilyloxyhexane-2,3-diimine);2-N,3-N-dinaphthalen-1-yl-6-trimethylsilyloxyhexane-2,3-diimine?
The InChIKey is IWVGKBHUWNSNSM-VTNZCTNRSA-N. The full InChI is InChI=1S/2C31H36N2OSi.C30H46N4O6Si2.C29H32N2OSi/c2*1-22-17-19-25-12-7-9-14-27(25)30(22)32-24(3)29(16-11-21-34-35(4,5)6)33-31-23(2)18-20-26-13-8-10-15-28(26)31;1-21-17-25(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;1-22(30-28-18-9-14-23-12-5-7-16-25(23)28)27(20-11-21-32-33(2,3)4)31-29-19-10-15-24-13-6-8-17-26(24)29/h2*7-10,12-15,17-20H,11,16,21H2,1-6H3;17-20H,11-16H2,1-10H3;5-10,12-19H,11,20-21H2,1-4H3/b2*32-24+,33-29+;31-27+,32-28+;30-22+,31-27+.
What are the key properties of 4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;bis(2-N,3-N-bis(2-methylnaphthalen-1-yl)-6-trimethylsilyloxyhexane-2,3-diimine);2-N,3-N-dinaphthalen-1-yl-6-trimethylsilyloxyhexane-2,3-diimine?
4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;bis(2-N,3-N-bis(2-methylnaphthalen-1-yl)-6-trimethylsilyloxyhexane-2,3-diimine);2-N,3-N-dinaphthalen-1-yl-6-trimethylsilyloxyhexane-2,3-diimine has a molecular weight of 2029.02 g/mol, XLogP of 35.55, 39 rotatable bonds, 0 hydrogen bond donors, and 17 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;bis(2-N,3-N-bis(2-methylnaphthalen-1-yl)-6-trimethylsilyloxyhexane-2,3-diimine);2-N,3-N-dinaphthalen-1-yl-6-trimethylsilyloxyhexane-2,3-diimine is sourced from PubChem (CID 90744181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).