22,23-dihydro-21H-corrin;21,22-dihydroporphyrin;5,10,15,20,21,22,23,24-octahydroporphyrin;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;21,22,23,24-tetrazapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1,3,5(24),6,8,10,12,14,16,18(21),19-undecaene;8,35,36-triazanonacyclo[30.2.1.115,18.02,7.06,10.09,14.019,24.023,27.026,31]hexatriaconta-1(34),2,4,6,9,11,13,15,17,19,21,23,26,28,30,32-hexadecaene

C144H101N27 — CID 157300912

About 22,23-dihydro-21H-corrin;21,22-dihydroporphyrin;5,10,15,20,21,22,23,24-octahydroporphyrin;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;21,22,23,24-tetrazapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1,3,5(24),6,8,10,12,14,16,18(21),19-undecaene;8,35,36-triazanonacyclo[30.2.1.115,18.02,7.06,10.09,14.019,24.023,27.026,31]hexatriaconta-1(34),2,4,6,9,11,13,15,17,19,21,23,26,28,30,32-hexadecaene

22,23-dihydro-21H-corrin;21,22-dihydroporphyrin;5,10,15,20,21,22,23,24-octahydroporphyrin;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;21,22,23,24-tetrazapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1,3,5(24),6,8,10,12,14,16,18(21),19-undecaene;8,35,36-triazanonacyclo[30.2.1.115,18.02,7.06,10.09,14.019,24.023,27.026,31]hexatriaconta-1(34),2,4,6,9,11,13,15,17,19,21,23,26,28,30,32-hexadecaene (PubChem CID 157300912) has the molecular formula C144H101N27 and a molecular weight of 2209.58 g/mol. Its IUPAC name is 22,23-dihydro-21H-corrin;21,22-dihydroporphyrin;5,10,15,20,21,22,23,24-octahydroporphyrin;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;21,22,23,24-tetrazapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1,3,5(24),6,8,10,12,14,16,18(21),19-undecaene;8,35,36-triazanonacyclo[30.2.1.115,18.02,7.06,10.09,14.019,24.023,27.026,31]hexatriaconta-1(34),2,4,6,9,11,13,15,17,19,21,23,26,28,30,32-hexadecaene.

Molecular Properties

• Compound Name: 22,23-dihydro-21H-corrin;21,22-dihydroporphyrin;5,10,15,20,21,22,23,24-octahydroporphyrin;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;21,22,23,24-tetrazapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1,3,5(24),6,8,10,12,14,16,18(21),19-undecaene;8,35,36-triazanonacyclo[30.2.1.115,18.02,7.06,10.09,14.019,24.023,27.026,31]hexatriaconta-1(34),2,4,6,9,11,13,15,17,19,21,23,26,28,30,32-hexadecaene
• PubChem CID: 157300912
• Molecular Formula: C144H101N27
• Molecular Weight: 2209.58 g/mol
• Exact Mass: 2207.87
• IUPAC Name: 22,23-dihydro-21H-corrin;21,22-dihydroporphyrin;5,10,15,20,21,22,23,24-octahydroporphyrin;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;21,22,23,24-tetrazapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1,3,5(24),6,8,10,12,14,16,18(21),19-undecaene;8,35,36-triazanonacyclo[30.2.1.115,18.02,7.06,10.09,14.019,24.023,27.026,31]hexatriaconta-1(34),2,4,6,9,11,13,15,17,19,21,23,26,28,30,32-hexadecaene
• SMILES: C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.C1=Cc2nc1cc1ccc(cc3ccc(cc4ccc2[nH]4)[nH]3)[nH]1.C1=Cc2nc1ccc1ccc([nH]1)c1ccc(ccc3nc2C=C3)[nH]1.c1cc2[nH]c1Cc1ccc([nH]1)Cc1ccc([nH]1)Cc1ccc([nH]1)C2.c1cc2c3c(c1)-c1cccc(c1C3)-c1ccc([nH]1)-c1cccc3c1[nH]c1c(cccc13)-c1ccc-2[nH]1.c1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21
• InChI: InChI=1S/C33H21N3.C32H18N8.C20H14N4.C20H20N4.C20H14N4.C19H14N4/c1-5-18-19-6-2-8-21-27(19)17-26(18)20(7-1)28-13-15-30(34-28)24-11-3-9-22-23-10-4-12-25(33(23)36-32(22)24)31-16-14-29(21)35-31;1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;1-2-14-6-10-19(22-14)20-12-8-16(24-20)4-3-15-7-11-18(23-15)17-9-5-13(1)21-17;2*1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;1-3-14-10-16-5-7-18(22-16)19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14/h1-16,34-36H,17H2;1-16H,(H2,33,34,35,36,37,38,39,40);1-12,21,23H;1-8,21-24H,9-12H2;1-12,21-22H;1-11,20-22H/b;;2-1-,4-3-,13-1-,14-2-,15-3-,16-4-,18-17-,20-19-;;13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,19-18-
• InChIKey: AGGZNEPTSPKDAB-FAKZKTDPSA-N
• XLogP: 33.08
• TPSA: 394.43 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 11
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2209.58
LogP ≤ 5	33.08
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 22,23-dihydro-21H-corrin;21,22-dihydroporphyrin;5,10,15,20,21,22,23,24-octahydroporphyrin;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;21,22,23,24-tetrazapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1,3,5(24),6,8,10,12,14,16,18(21),19-undecaene;8,35,36-triazanonacyclo[30.2.1.115,18.02,7.06,10.09,14.019,24.023,27.026,31]hexatriaconta-1(34),2,4,6,9,11,13,15,17,19,21,23,26,28,30,32-hexadecaene?

The IUPAC name of 22,23-dihydro-21H-corrin;21,22-dihydroporphyrin;5,10,15,20,21,22,23,24-octahydroporphyrin;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;21,22,23,24-tetrazapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1,3,5(24),6,8,10,12,14,16,18(21),19-undecaene;8,35,36-triazanonacyclo[30.2.1.115,18.02,7.06,10.09,14.019,24.023,27.026,31]hexatriaconta-1(34),2,4,6,9,11,13,15,17,19,21,23,26,28,30,32-hexadecaene (CID 157300912) is 22,23-dihydro-21H-corrin;21,22-dihydroporphyrin;5,10,15,20,21,22,23,24-octahydroporphyrin;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;21,22,23,24-tetrazapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1,3,5(24),6,8,10,12,14,16,18(21),19-undecaene;8,35,36-triazanonacyclo[30.2.1.115,18.02,7.06,10.09,14.019,24.023,27.026,31]hexatriaconta-1(34),2,4,6,9,11,13,15,17,19,21,23,26,28,30,32-hexadecaene.

What is the SMILES notation for 22,23-dihydro-21H-corrin;21,22-dihydroporphyrin;5,10,15,20,21,22,23,24-octahydroporphyrin;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;21,22,23,24-tetrazapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1,3,5(24),6,8,10,12,14,16,18(21),19-undecaene;8,35,36-triazanonacyclo[30.2.1.115,18.02,7.06,10.09,14.019,24.023,27.026,31]hexatriaconta-1(34),2,4,6,9,11,13,15,17,19,21,23,26,28,30,32-hexadecaene?

The canonical SMILES for 22,23-dihydro-21H-corrin;21,22-dihydroporphyrin;5,10,15,20,21,22,23,24-octahydroporphyrin;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;21,22,23,24-tetrazapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1,3,5(24),6,8,10,12,14,16,18(21),19-undecaene;8,35,36-triazanonacyclo[30.2.1.115,18.02,7.06,10.09,14.019,24.023,27.026,31]hexatriaconta-1(34),2,4,6,9,11,13,15,17,19,21,23,26,28,30,32-hexadecaene is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.C1=Cc2nc1cc1ccc(cc3ccc(cc4ccc2[nH]4)[nH]3)[nH]1.C1=Cc2nc1ccc1ccc([nH]1)c1ccc(ccc3nc2C=C3)[nH]1.c1cc2[nH]c1Cc1ccc([nH]1)Cc1ccc([nH]1)Cc1ccc([nH]1)C2.c1cc2c3c(c1)-c1cccc(c1C3)-c1ccc([nH]1)-c1cccc3c1[nH]c1c(cccc13)-c1ccc-2[nH]1.c1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.

What is the InChIKey of 22,23-dihydro-21H-corrin;21,22-dihydroporphyrin;5,10,15,20,21,22,23,24-octahydroporphyrin;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;21,22,23,24-tetrazapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1,3,5(24),6,8,10,12,14,16,18(21),19-undecaene;8,35,36-triazanonacyclo[30.2.1.115,18.02,7.06,10.09,14.019,24.023,27.026,31]hexatriaconta-1(34),2,4,6,9,11,13,15,17,19,21,23,26,28,30,32-hexadecaene?

The InChIKey is AGGZNEPTSPKDAB-FAKZKTDPSA-N. The full InChI is InChI=1S/C33H21N3.C32H18N8.C20H14N4.C20H20N4.C20H14N4.C19H14N4/c1-5-18-19-6-2-8-21-27(19)17-26(18)20(7-1)28-13-15-30(34-28)24-11-3-9-22-23-10-4-12-25(33(23)36-32(22)24)31-16-14-29(21)35-31;1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;1-2-14-6-10-19(22-14)20-12-8-16(24-20)4-3-15-7-11-18(23-15)17-9-5-13(1)21-17;2*1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;1-3-14-10-16-5-7-18(22-16)19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14/h1-16,34-36H,17H2;1-16H,(H2,33,34,35,36,37,38,39,40);1-12,21,23H;1-8,21-24H,9-12H2;1-12,21-22H;1-11,20-22H/b;;2-1-,4-3-,13-1-,14-2-,15-3-,16-4-,18-17-,20-19-;;13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,19-18-.

What are the key properties of 22,23-dihydro-21H-corrin;21,22-dihydroporphyrin;5,10,15,20,21,22,23,24-octahydroporphyrin;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;21,22,23,24-tetrazapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1,3,5(24),6,8,10,12,14,16,18(21),19-undecaene;8,35,36-triazanonacyclo[30.2.1.115,18.02,7.06,10.09,14.019,24.023,27.026,31]hexatriaconta-1(34),2,4,6,9,11,13,15,17,19,21,23,26,28,30,32-hexadecaene?

22,23-dihydro-21H-corrin;21,22-dihydroporphyrin;5,10,15,20,21,22,23,24-octahydroporphyrin;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;21,22,23,24-tetrazapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1,3,5(24),6,8,10,12,14,16,18(21),19-undecaene;8,35,36-triazanonacyclo[30.2.1.115,18.02,7.06,10.09,14.019,24.023,27.026,31]hexatriaconta-1(34),2,4,6,9,11,13,15,17,19,21,23,26,28,30,32-hexadecaene has a molecular weight of 2209.58 g/mol, XLogP of 33.08, 0 rotatable bonds, 16 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 22,23-dihydro-21H-corrin;21,22-dihydroporphyrin;5,10,15,20,21,22,23,24-octahydroporphyrin;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;21,22,23,24-tetrazapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1,3,5(24),6,8,10,12,14,16,18(21),19-undecaene;8,35,36-triazanonacyclo[30.2.1.115,18.02,7.06,10.09,14.019,24.023,27.026,31]hexatriaconta-1(34),2,4,6,9,11,13,15,17,19,21,23,26,28,30,32-hexadecaene is sourced from PubChem (CID 157300912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).