4,7,11,15,19,23,27,31,33,35,37,39,41,43,45,48-hexadecazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2,4,6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,47-tetracosaene

C32H16N16 — CID 102047080

IUPAC4,7,11,15,19,23,27,31,33,35,37,39,41,43,45,48-hexadecazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2,4,6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,47-tetracosaene
SMILESc1nc2cnc1-c1cnc(cn1)-c1cnc(cn1)-c1cnc(cn1)-c1cnc(cn1)-c1cnc(cn1)-c1cnc(cn1)-c1cnc-2cn1
InChIInChI=1S/C32H16N16/c1-17-18-2-36-21(5-35-18)23-7-40-25(9-39-23)27-11-44-29(13-43-27)31-15-48-32(16-47-31)30-14-45-28(12-46-30)26-10-41-24(8-42-26)22-6-37-20(4-38-22)19(33-1)3-34-17/h1-16H/b18-17-,20-19-,23-21+,24-22+,27-25-,28-26+,31-29-,32-30+
InChIKeyBLEWGVSZWDZLFX-OTCUVZNFSA-N
MW624.59 g/mol
LogP3.66
Rot. Bonds

About 4,7,11,15,19,23,27,31,33,35,37,39,41,43,45,48-hexadecazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2,4,6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,47-tetracosaene

4,7,11,15,19,23,27,31,33,35,37,39,41,43,45,48-hexadecazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2,4,6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,47-tetracosaene (PubChem CID 102047080) has the molecular formula C32H16N16 and a molecular weight of 624.59 g/mol. Its IUPAC name is 4,7,11,15,19,23,27,31,33,35,37,39,41,43,45,48-hexadecazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2,4,6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,47-tetracosaene.

Molecular Properties

Compound Name4,7,11,15,19,23,27,31,33,35,37,39,41,43,45,48-hexadecazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2,4,6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,47-tetracosaene
PubChem CID102047080
Molecular FormulaC32H16N16
Molecular Weight624.59 g/mol
Exact Mass624.17
IUPAC Name4,7,11,15,19,23,27,31,33,35,37,39,41,43,45,48-hexadecazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2,4,6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,47-tetracosaene
SMILESc1nc2cnc1-c1cnc(cn1)-c1cnc(cn1)-c1cnc(cn1)-c1cnc(cn1)-c1cnc(cn1)-c1cnc(cn1)-c1cnc-2cn1
InChIInChI=1S/C32H16N16/c1-17-18-2-36-21(5-35-18)23-7-40-25(9-39-23)27-11-44-29(13-43-27)31-15-48-32(16-47-31)30-14-45-28(12-46-30)26-10-41-24(8-42-26)22-6-37-20(4-38-22)19(33-1)3-34-17/h1-16H/b18-17-,20-19-,23-21+,24-22+,27-25-,28-26+,31-29-,32-30+
InChIKeyBLEWGVSZWDZLFX-OTCUVZNFSA-N
XLogP3.66
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.59
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 4,7,11,15,19,23,27,31,33,35,37,39,41,43,45,48-hexadecazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2,4,6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,47-tetracosaene with MolForge

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Related Compounds

Tris(2,2'-bipyrazine)ruthenium(II) hexafluorophosphate
CID 15376884
[Ru(bpz)3][PF6]2, AldrichCPR
CID 117065413
Tris(2,2'-bipyrazyl)ruthenium(II)
CID 153668
Bis(2-pyrazin-4-ium-2-ylpyrazine);2-pyrazin-2-ylpyrazine;ruthenium(6+)
CID 138967859
Tris(2-pyrazin-2-ylpyrazine);ruthenium(2+)
CID 163196576
cis-Dichlorobis(2,2'-bipyrazyl)ruthenium(II)
CID 157351
Bis(2-methyl-6-(6-methylpyrazin-2-yl)pyrazine);2-methyl-6-pyrazin-2-ylpyrazine;ruthenium
CID 20805483
2-Pyrazin-2-yl-5-[6-(5-pyrazin-2-ylpyrazin-2-yl)-1,4-dithiin-2-yl]pyrazine
CID 58816815
Tetrakis(6-pyrazin-2-ylpyrazin-2-yl)silane
CID 71124248
2-Pyrazin-2-ylpyrazine;ruthenium
CID 135084578
Ru(bpz)3(Cl)2
CID 146159813
Bis(1-methanidyl-2-pyrazin-2-ylpyrazin-1-ium);2-pyrazin-2-ylpyrazine;ruthenium(2+)
CID 153475093

Frequently Asked Questions

What is the IUPAC name of 4,7,11,15,19,23,27,31,33,35,37,39,41,43,45,48-hexadecazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2,4,6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,47-tetracosaene?
The IUPAC name of 4,7,11,15,19,23,27,31,33,35,37,39,41,43,45,48-hexadecazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2,4,6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,47-tetracosaene (CID 102047080) is 4,7,11,15,19,23,27,31,33,35,37,39,41,43,45,48-hexadecazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2,4,6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,47-tetracosaene.
What is the SMILES notation for 4,7,11,15,19,23,27,31,33,35,37,39,41,43,45,48-hexadecazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2,4,6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,47-tetracosaene?
The canonical SMILES for 4,7,11,15,19,23,27,31,33,35,37,39,41,43,45,48-hexadecazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2,4,6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,47-tetracosaene is c1nc2cnc1-c1cnc(cn1)-c1cnc(cn1)-c1cnc(cn1)-c1cnc(cn1)-c1cnc(cn1)-c1cnc(cn1)-c1cnc-2cn1.
What is the InChIKey of 4,7,11,15,19,23,27,31,33,35,37,39,41,43,45,48-hexadecazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2,4,6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,47-tetracosaene?
The InChIKey is BLEWGVSZWDZLFX-OTCUVZNFSA-N. The full InChI is InChI=1S/C32H16N16/c1-17-18-2-36-21(5-35-18)23-7-40-25(9-39-23)27-11-44-29(13-43-27)31-15-48-32(16-47-31)30-14-45-28(12-46-30)26-10-41-24(8-42-26)22-6-37-20(4-38-22)19(33-1)3-34-17/h1-16H/b18-17-,20-19-,23-21+,24-22+,27-25-,28-26+,31-29-,32-30+.
What are the key properties of 4,7,11,15,19,23,27,31,33,35,37,39,41,43,45,48-hexadecazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2,4,6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,47-tetracosaene?
4,7,11,15,19,23,27,31,33,35,37,39,41,43,45,48-hexadecazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2,4,6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,47-tetracosaene has a molecular weight of 624.59 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,11,15,19,23,27,31,33,35,37,39,41,43,45,48-hexadecazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2,4,6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,47-tetracosaene is sourced from PubChem (CID 102047080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).