10-(2,2-dimethylpropyl)-17-(1,1-dimethylsilinan-4-yl)-12,24-diazahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene

C35H38N2Si — CID 176802716

IUPAC10-(2,2-dimethylpropyl)-17-(1,1-dimethylsilinan-4-yl)-12,24-diazahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene
SMILESCC(C)(C)Cc1c2c(cc3ccccc13)-c1nccc3c1c(cc1cc(C4CC[Si](C)(C)CC4)ccc13)N2
InChIInChI=1S/C35H38N2Si/c1-35(2,3)21-30-26-9-7-6-8-24(26)19-29-33(30)37-31-20-25-18-23(22-13-16-38(4,5)17-14-22)10-11-27(25)28-12-15-36-34(29)32(28)31/h6-12,15,18-20,22,37H,13-14,16-17,21H2,1-5H3
InChIKeyGUEABVSOQVHUDR-UHFFFAOYSA-N
MW514.79 g/mol
LogP10.44
Rot. Bonds2

About 10-(2,2-dimethylpropyl)-17-(1,1-dimethylsilinan-4-yl)-12,24-diazahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene

10-(2,2-dimethylpropyl)-17-(1,1-dimethylsilinan-4-yl)-12,24-diazahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene (PubChem CID 176802716) has the molecular formula C35H38N2Si and a molecular weight of 514.79 g/mol. Its IUPAC name is 10-(2,2-dimethylpropyl)-17-(1,1-dimethylsilinan-4-yl)-12,24-diazahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene.

Molecular Properties

Compound Name10-(2,2-dimethylpropyl)-17-(1,1-dimethylsilinan-4-yl)-12,24-diazahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene
PubChem CID176802716
Molecular FormulaC35H38N2Si
Molecular Weight514.79 g/mol
Exact Mass514.28
IUPAC Name10-(2,2-dimethylpropyl)-17-(1,1-dimethylsilinan-4-yl)-12,24-diazahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene
SMILESCC(C)(C)Cc1c2c(cc3ccccc13)-c1nccc3c1c(cc1cc(C4CC[Si](C)(C)CC4)ccc13)N2
InChIInChI=1S/C35H38N2Si/c1-35(2,3)21-30-26-9-7-6-8-24(26)19-29-33(30)37-31-20-25-18-23(22-13-16-38(4,5)17-14-22)10-11-27(25)28-12-15-36-34(29)32(28)31/h6-12,15,18-20,22,37H,13-14,16-17,21H2,1-5H3
InChIKeyGUEABVSOQVHUDR-UHFFFAOYSA-N
XLogP10.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.79
LogP ≤ 510.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-(2,2-dimethylpropyl)-17-(1,1-dimethylsilinan-4-yl)-12,24-diazahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene with MolForge

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Related Compounds

[10-(2,2-dimethylpropyl)-15-methyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-16-yl]-trimethylgermane
CID 176607021
14,20-bis(2,2-dimethylpropyl)-16-oxa-28-azaheptacyclo[15.11.1.02,15.04,13.06,11.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,17,19,21,23,25(29),26-tetradecaene
CID 170658422
6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)naphthalen-2-yl]isoquinoline
CID 156621924
2,2-dimethyl-4,10-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene
CID 165170345
1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)-[1]benzofuro[2,3-c]pyridine
CID 168852909
10,16-bis(2,2-dimethylpropyl)-6-methyl-12-thia-24-azahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13,15,17,19,21(25),22-dodecaene
CID 168732843
1-(4-tert-butylnaphthalen-2-yl)-7-(2,2-dimethylpropyl)-2,8-phenanthroline
CID 156667178
1-(4-tert-butylnaphthalen-2-yl)-7-[(1,1-dimethylsilinan-4-yl)methyl]-8-methyl-[1]benzoselenolo[2,3-c]pyridine
CID 176802724
[15-(2,2-dimethylpropyl)-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-10-yl]methyl-trimethylgermane
CID 176606976
1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)benzo[h]isoquinoline
CID 156667190
6,8,28,28-tetramethyl-7,16-diaza-28-silaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene
CID 176880842
3-deuterio-1-(3,5-ditert-butyl-2-methylphenyl)-6-(1,1-dimethylsilinan-4-yl)-2-methylisoquinolin-2-ium
CID 155639300

Frequently Asked Questions

What is the IUPAC name of 10-(2,2-dimethylpropyl)-17-(1,1-dimethylsilinan-4-yl)-12,24-diazahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene?
The IUPAC name of 10-(2,2-dimethylpropyl)-17-(1,1-dimethylsilinan-4-yl)-12,24-diazahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene (CID 176802716) is 10-(2,2-dimethylpropyl)-17-(1,1-dimethylsilinan-4-yl)-12,24-diazahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene.
What is the SMILES notation for 10-(2,2-dimethylpropyl)-17-(1,1-dimethylsilinan-4-yl)-12,24-diazahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene?
The canonical SMILES for 10-(2,2-dimethylpropyl)-17-(1,1-dimethylsilinan-4-yl)-12,24-diazahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene is CC(C)(C)Cc1c2c(cc3ccccc13)-c1nccc3c1c(cc1cc(C4CC[Si](C)(C)CC4)ccc13)N2.
What is the InChIKey of 10-(2,2-dimethylpropyl)-17-(1,1-dimethylsilinan-4-yl)-12,24-diazahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene?
The InChIKey is GUEABVSOQVHUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N2Si/c1-35(2,3)21-30-26-9-7-6-8-24(26)19-29-33(30)37-31-20-25-18-23(22-13-16-38(4,5)17-14-22)10-11-27(25)28-12-15-36-34(29)32(28)31/h6-12,15,18-20,22,37H,13-14,16-17,21H2,1-5H3.
What are the key properties of 10-(2,2-dimethylpropyl)-17-(1,1-dimethylsilinan-4-yl)-12,24-diazahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene?
10-(2,2-dimethylpropyl)-17-(1,1-dimethylsilinan-4-yl)-12,24-diazahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene has a molecular weight of 514.79 g/mol, XLogP of 10.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,2-dimethylpropyl)-17-(1,1-dimethylsilinan-4-yl)-12,24-diazahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene is sourced from PubChem (CID 176802716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).