9,23-dimethyl-9,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene

C21H16N4 — CID 155082186

IUPAC9,23-dimethyl-9,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene
SMILESCn1c2ccccc2c2c1ccc1c2n(C)c2nc3ccccc3n12
InChIInChI=1S/C21H16N4/c1-23-15-9-5-3-7-13(15)19-17(23)11-12-18-20(19)24(2)21-22-14-8-4-6-10-16(14)25(18)21/h3-12H,1-2H3
InChIKeyJPDUBRAYXOOFER-UHFFFAOYSA-N
MW324.39 g/mol
LogP4.62
Rot. Bonds

About 9,23-dimethyl-9,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene

9,23-dimethyl-9,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene (PubChem CID 155082186) has the molecular formula C21H16N4 and a molecular weight of 324.39 g/mol. Its IUPAC name is 9,23-dimethyl-9,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene.

Molecular Properties

Compound Name9,23-dimethyl-9,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene
PubChem CID155082186
Molecular FormulaC21H16N4
Molecular Weight324.39 g/mol
Exact Mass324.14
IUPAC Name9,23-dimethyl-9,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene
SMILESCn1c2ccccc2c2c1ccc1c2n(C)c2nc3ccccc3n12
InChIInChI=1S/C21H16N4/c1-23-15-9-5-3-7-13(15)19-17(23)11-12-18-20(19)24(2)21-22-14-8-4-6-10-16(14)25(18)21/h3-12H,1-2H3
InChIKeyJPDUBRAYXOOFER-UHFFFAOYSA-N
XLogP4.62
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9,23-dimethyl-9,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene with MolForge

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Related Compounds

3,23-dimethyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene
CID 155082006
23-methyl-9-thia-14,21,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene
CID 155082026
5-methylbenzimidazolo[2,1-b]quinazolin-12-one
CID 13458566
6-methylbenzimidazolo[1,2-a]quinazolin-5-one
CID 59232444
1,2,3-trimethylimidazo[1,2-a]benzimidazole
CID 157483248
4-(3-hydroxy-9-methylcarbazol-4-yl)-9-methylcarbazol-3-ol
CID 169016358
12-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-methylindolo[3,2-c]carbazole
CID 174256085
3,16-dimethyl-3,14,16,23-tetrazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,14,17,19,21-decaene
CID 155082278
2,3-dimethyl-1-phenylimidazo[1,2-a]benzimidazole
CID 158748738
14-methyl-9-thia-7,14,16,23-tetrazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3(8),4,6,11,15,17,19,21-decaene
CID 155082136
5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 123753360
8,30-dimethyl-5,8,27,30-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.09,14.028,40.029,37.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),9,11,13,16,19(46),20,22,25,28(40),29(37),31,33,35,38,41(45),42-henicosaene;14,36-dimethyl-5,14,27,36-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene
CID 165023613

Frequently Asked Questions

What is the IUPAC name of 9,23-dimethyl-9,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene?
The IUPAC name of 9,23-dimethyl-9,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene (CID 155082186) is 9,23-dimethyl-9,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene.
What is the SMILES notation for 9,23-dimethyl-9,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene?
The canonical SMILES for 9,23-dimethyl-9,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene is Cn1c2ccccc2c2c1ccc1c2n(C)c2nc3ccccc3n12.
What is the InChIKey of 9,23-dimethyl-9,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene?
The InChIKey is JPDUBRAYXOOFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4/c1-23-15-9-5-3-7-13(15)19-17(23)11-12-18-20(19)24(2)21-22-14-8-4-6-10-16(14)25(18)21/h3-12H,1-2H3.
What are the key properties of 9,23-dimethyl-9,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene?
9,23-dimethyl-9,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene has a molecular weight of 324.39 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,23-dimethyl-9,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene is sourced from PubChem (CID 155082186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).