4,6,20,20-tetramethyl-5,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene

C23H20N2 — CID 165170266

IUPAC4,6,20,20-tetramethyl-5,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene
SMILESCc1cc2c(cc3c4c(nccc42)-c2ccccc2C3(C)C)c(C)n1
InChIInChI=1S/C23H20N2/c1-13-11-18-15-9-10-24-22-16-7-5-6-8-19(16)23(3,4)20(21(15)22)12-17(18)14(2)25-13/h5-12H,1-4H3
InChIKeyYUPYCDLRFLQNSN-UHFFFAOYSA-N
MW324.43 g/mol
LogP5.71
Rot. Bonds

About 4,6,20,20-tetramethyl-5,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene

4,6,20,20-tetramethyl-5,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene (PubChem CID 165170266) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4,6,20,20-tetramethyl-5,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene.

Molecular Properties

Compound Name4,6,20,20-tetramethyl-5,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene
PubChem CID165170266
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name4,6,20,20-tetramethyl-5,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene
SMILESCc1cc2c(cc3c4c(nccc42)-c2ccccc2C3(C)C)c(C)n1
InChIInChI=1S/C23H20N2/c1-13-11-18-15-9-10-24-22-16-7-5-6-8-19(16)23(3,4)20(21(15)22)12-17(18)14(2)25-13/h5-12H,1-4H3
InChIKeyYUPYCDLRFLQNSN-UHFFFAOYSA-N
XLogP5.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,6,20,20-tetramethyl-5,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene with MolForge

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Related Compounds

16,18-dimethyl-2-thia-10,17-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene
CID 165170193
6,8,28,28-tetramethyl-16-azaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
CID 176880757
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
28,28-difluoro-6,8-dimethyl-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 176881001
28,28-dimethyl-6-(2-methylpropyl)-16-azaheptacyclo[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 176880749
4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
CID 59319046
17-ethenyl-6,8,14,14,18-pentamethyl-22-azahexacyclo[11.11.1.02,11.05,10.015,20.021,25]pentacosa-1,3,5,7,9,11,13(25),15(20),16,18,21,23-dodecaene
CID 176880935
4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59747180
4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59747241
20,20-dimethyl-3,6-dioxa-12-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),8,10,12,14,16,18-octaene
CID 58240004
4-(9,9-dimethylfluoren-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
CID 59319124
6,13-bis(9,9-dimethylfluoren-1-yl)-3,10-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene
CID 154591767

Frequently Asked Questions

What is the IUPAC name of 4,6,20,20-tetramethyl-5,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene?
The IUPAC name of 4,6,20,20-tetramethyl-5,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene (CID 165170266) is 4,6,20,20-tetramethyl-5,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene.
What is the SMILES notation for 4,6,20,20-tetramethyl-5,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene?
The canonical SMILES for 4,6,20,20-tetramethyl-5,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene is Cc1cc2c(cc3c4c(nccc42)-c2ccccc2C3(C)C)c(C)n1.
What is the InChIKey of 4,6,20,20-tetramethyl-5,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene?
The InChIKey is YUPYCDLRFLQNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2/c1-13-11-18-15-9-10-24-22-16-7-5-6-8-19(16)23(3,4)20(21(15)22)12-17(18)14(2)25-13/h5-12H,1-4H3.
What are the key properties of 4,6,20,20-tetramethyl-5,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene?
4,6,20,20-tetramethyl-5,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene has a molecular weight of 324.43 g/mol, XLogP of 5.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,20,20-tetramethyl-5,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene is sourced from PubChem (CID 165170266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).