12,12,23,23-tetramethyl-6,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3(8),4,6,9,14,16(24),17(22),18,20-undecaene

C26H22N2 — CID 170363282

IUPAC12,12,23,23-tetramethyl-6,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3(8),4,6,9,14,16(24),17(22),18,20-undecaene
SMILESCC1(C)c2ccc3c(c2-c2c1ccc1cnccc21)C(C)(C)c1cccnc1-3
InChIInChI=1S/C26H22N2/c1-25(2)18-9-7-15-14-27-13-11-16(15)21(18)22-19(25)10-8-17-23(22)26(3,4)20-6-5-12-28-24(17)20/h5-14H,1-4H3
InChIKeyUSCDDODWTNWSLL-UHFFFAOYSA-N
MW362.48 g/mol
LogP6.24
Rot. Bonds

About 12,12,23,23-tetramethyl-6,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3(8),4,6,9,14,16(24),17(22),18,20-undecaene

12,12,23,23-tetramethyl-6,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3(8),4,6,9,14,16(24),17(22),18,20-undecaene (PubChem CID 170363282) has the molecular formula C26H22N2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 12,12,23,23-tetramethyl-6,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3(8),4,6,9,14,16(24),17(22),18,20-undecaene.

Molecular Properties

Compound Name12,12,23,23-tetramethyl-6,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3(8),4,6,9,14,16(24),17(22),18,20-undecaene
PubChem CID170363282
Molecular FormulaC26H22N2
Molecular Weight362.48 g/mol
Exact Mass362.18
IUPAC Name12,12,23,23-tetramethyl-6,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3(8),4,6,9,14,16(24),17(22),18,20-undecaene
SMILESCC1(C)c2ccc3c(c2-c2c1ccc1cnccc21)C(C)(C)c1cccnc1-3
InChIInChI=1S/C26H22N2/c1-25(2)18-9-7-15-14-27-13-11-16(15)21(18)22-19(25)10-8-17-23(22)26(3,4)20-6-5-12-28-24(17)20/h5-14H,1-4H3
InChIKeyUSCDDODWTNWSLL-UHFFFAOYSA-N
XLogP6.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12,12,23,23-tetramethyl-6,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3(8),4,6,9,14,16(24),17(22),18,20-undecaene with MolForge

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Related Compounds

3,3,14,14-tetramethyl-8,22-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene
CID 170363337
5,6,9,9,20,20-hexamethyl-4,7,15-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 170363520
23,23-dimethyl-12-thia-5,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3(8),4,6,9,14,16(24),17(22),18,20-undecaene
CID 170363530
9,9,20,20-tetramethyl-6-propan-2-yl-15-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 170363221
3,3,14,14-tetramethyl-15-oxa-8,17-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16(21),17,19-nonaene
CID 170363604
3,3,14,14-tetramethyl-15-oxa-8-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16,18,20-nonaene
CID 170363577
5,5,9-trimethylindeno[1,2-b]pyridine
CID 58050073
3,3-dimethyl-14-oxa-8,23-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene
CID 170363553
beryllium bis(5,5-dimethylindeno[1,2-b]pyridin-9-olate)
CID 58049972
24,24-dimethyl-12-oxa-4,19-diazahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18(23),19,21-undecaene
CID 170363665
8,8,19,19-tetramethyl-3,14-diazahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(22),2(7),3,5,9(23),10,12(24),13(18),14,16-decaene
CID 163707899
11,11-dimethylbenzo[a]fluorene;8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;8,8-dimethyl-3,6,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,5,15,15,25,25-hexamethylheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene;9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 162029873

Frequently Asked Questions

What is the IUPAC name of 12,12,23,23-tetramethyl-6,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3(8),4,6,9,14,16(24),17(22),18,20-undecaene?
The IUPAC name of 12,12,23,23-tetramethyl-6,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3(8),4,6,9,14,16(24),17(22),18,20-undecaene (CID 170363282) is 12,12,23,23-tetramethyl-6,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3(8),4,6,9,14,16(24),17(22),18,20-undecaene.
What is the SMILES notation for 12,12,23,23-tetramethyl-6,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3(8),4,6,9,14,16(24),17(22),18,20-undecaene?
The canonical SMILES for 12,12,23,23-tetramethyl-6,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3(8),4,6,9,14,16(24),17(22),18,20-undecaene is CC1(C)c2ccc3c(c2-c2c1ccc1cnccc21)C(C)(C)c1cccnc1-3.
What is the InChIKey of 12,12,23,23-tetramethyl-6,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3(8),4,6,9,14,16(24),17(22),18,20-undecaene?
The InChIKey is USCDDODWTNWSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2/c1-25(2)18-9-7-15-14-27-13-11-16(15)21(18)22-19(25)10-8-17-23(22)26(3,4)20-6-5-12-28-24(17)20/h5-14H,1-4H3.
What are the key properties of 12,12,23,23-tetramethyl-6,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3(8),4,6,9,14,16(24),17(22),18,20-undecaene?
12,12,23,23-tetramethyl-6,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3(8),4,6,9,14,16(24),17(22),18,20-undecaene has a molecular weight of 362.48 g/mol, XLogP of 6.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12,23,23-tetramethyl-6,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3(8),4,6,9,14,16(24),17(22),18,20-undecaene is sourced from PubChem (CID 170363282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).