2,7,12,16-tetramethyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene

C22H22N4 — CID 121284949

IUPAC2,7,12,16-tetramethyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene
SMILESCc1cncc(C)c2ccc([nH]2)c(C)c2ccc([nH]2)c(C)c2nc1C=C2
InChIInChI=1S/C22H22N4/c1-13-11-23-12-14(2)18-6-8-20(25-18)16(4)22-10-9-21(26-22)15(3)19-7-5-17(13)24-19/h5-12,24,26H,1-4H3/b13-11+,14-12-,17-13-,18-14+,19-15-,20-16+,21-15-,22-16-,23-11+,23-12-
InChIKeyXZGHXORUYXXHDL-GOCQYFMJSA-N
MW342.45 g/mol
LogP5.41
Rot. Bonds

About 2,7,12,16-tetramethyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene

2,7,12,16-tetramethyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene (PubChem CID 121284949) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 2,7,12,16-tetramethyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene.

Molecular Properties

Compound Name2,7,12,16-tetramethyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene
PubChem CID121284949
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name2,7,12,16-tetramethyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene
SMILESCc1cncc(C)c2ccc([nH]2)c(C)c2ccc([nH]2)c(C)c2nc1C=C2
InChIInChI=1S/C22H22N4/c1-13-11-23-12-14(2)18-6-8-20(25-18)16(4)22-10-9-21(26-22)15(3)19-7-5-17(13)24-19/h5-12,24,26H,1-4H3/b13-11+,14-12-,17-13-,18-14+,19-15-,20-16+,21-15-,22-16-,23-11+,23-12-
InChIKeyXZGHXORUYXXHDL-GOCQYFMJSA-N
XLogP5.41
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.45
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,7,12,16-tetramethyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene with MolForge

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Related Compounds

12,16-dimethyl-2,7-diphenyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene
CID 176570038
5-(4-methoxyphenyl)-10,15,20-trimethyl-21,22-dihydroporphyrin
CID 102450798
2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,6(24),7,9,11,13(22),14,16,18-decaene
CID 58602539
10,20-dimethyl-21,22-dihydroporphyrin
CID 173103171
5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
CID 135590703
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852
2,12-dimethyl-7,17-diphenyl-21-thia-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene;ethane;molecular hydrogen
CID 142937031
N,N,3,5-tetramethyl-4-[10,15,20-tris[4-(dimethylamino)-2,6-dimethylphenyl]-21,23-dihydroporphyrin-5-yl]aniline
CID 137081692
5,10,15,20-tetrakis(3-methylthiophen-2-yl)-21,23-dihydroporphyrin
CID 136734792
nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
5,10,15,20-tetra(propan-2-yl)-21,22-dihydroporphyrin
CID 11092709
5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135778239

Frequently Asked Questions

What is the IUPAC name of 2,7,12,16-tetramethyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene?
The IUPAC name of 2,7,12,16-tetramethyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene (CID 121284949) is 2,7,12,16-tetramethyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene.
What is the SMILES notation for 2,7,12,16-tetramethyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene?
The canonical SMILES for 2,7,12,16-tetramethyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene is Cc1cncc(C)c2ccc([nH]2)c(C)c2ccc([nH]2)c(C)c2nc1C=C2.
What is the InChIKey of 2,7,12,16-tetramethyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene?
The InChIKey is XZGHXORUYXXHDL-GOCQYFMJSA-N. The full InChI is InChI=1S/C22H22N4/c1-13-11-23-12-14(2)18-6-8-20(25-18)16(4)22-10-9-21(26-22)15(3)19-7-5-17(13)24-19/h5-12,24,26H,1-4H3/b13-11+,14-12-,17-13-,18-14+,19-15-,20-16+,21-15-,22-16-,23-11+,23-12-.
What are the key properties of 2,7,12,16-tetramethyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene?
2,7,12,16-tetramethyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene has a molecular weight of 342.45 g/mol, XLogP of 5.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,12,16-tetramethyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene is sourced from PubChem (CID 121284949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).