22,23-dihydro-21H-corrin;5,10,15,20,21,22,23,24-octahydroporphyrin

C39H34N8 — CID 158967955

IUPAC22,23-dihydro-21H-corrin;5,10,15,20,21,22,23,24-octahydroporphyrin
SMILESC1=Cc2nc1cc1ccc(cc3ccc(cc4ccc2[nH]4)[nH]3)[nH]1.c1cc2[nH]c1Cc1ccc([nH]1)Cc1ccc([nH]1)Cc1ccc([nH]1)C2
InChIInChI=1S/C20H20N4.C19H14N4/c1-2-14-10-16-5-6-18(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/h1-8,21-24H,9-12H2;1-11,20-22H/b;12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,19-18-
InChIKeyPAQACBUDHCRNSD-RMEMXYBHSA-N
MW614.76 g/mol
LogP8.37
Rot. Bonds

About 22,23-dihydro-21H-corrin;5,10,15,20,21,22,23,24-octahydroporphyrin

22,23-dihydro-21H-corrin;5,10,15,20,21,22,23,24-octahydroporphyrin (PubChem CID 158967955) has the molecular formula C39H34N8 and a molecular weight of 614.76 g/mol. Its IUPAC name is 22,23-dihydro-21H-corrin;5,10,15,20,21,22,23,24-octahydroporphyrin.

Molecular Properties

Compound Name22,23-dihydro-21H-corrin;5,10,15,20,21,22,23,24-octahydroporphyrin
PubChem CID158967955
Molecular FormulaC39H34N8
Molecular Weight614.76 g/mol
Exact Mass614.29
IUPAC Name22,23-dihydro-21H-corrin;5,10,15,20,21,22,23,24-octahydroporphyrin
SMILESC1=Cc2nc1cc1ccc(cc3ccc(cc4ccc2[nH]4)[nH]3)[nH]1.c1cc2[nH]c1Cc1ccc([nH]1)Cc1ccc([nH]1)Cc1ccc([nH]1)C2
InChIInChI=1S/C20H20N4.C19H14N4/c1-2-14-10-16-5-6-18(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/h1-8,21-24H,9-12H2;1-11,20-22H/b;12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,19-18-
InChIKeyPAQACBUDHCRNSD-RMEMXYBHSA-N
XLogP8.37
TPSA123.42 Ų
H-Bond Donors7
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500614.76
LogP ≤ 58.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 101

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Related Compounds

23,24-dihydro-21H-porphyrin-5-one
CID 66692742
10-iodo-21,22-dihydroporphyrin
CID 173057969
15-methyl-21,22-dihydroporphyrin
CID 58018116
10,20-dimethyl-21,22-dihydroporphyrin
CID 173103171
5-[4-[4-(21,23-dihydroporphyrin-5-yl)phenyl]phenyl]-21,23-dihydroporphyrin
CID 136749783
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
10-nitro-21,22-dihydroporphyrin
CID 173125682
zinc 21,22-dihydroporphyrin
CID 21123910
CID 175757831
CID 175757831
21,23-dihydroporphyrin;trihydrochloride
CID 172691359
tris(23,24-dihydroporphyrin-5-sulfonate);iron(3+)
CID 173451966
disodium;21,22-dihydroporphyrin;hydride
CID 174339672

Frequently Asked Questions

What is the IUPAC name of 22,23-dihydro-21H-corrin;5,10,15,20,21,22,23,24-octahydroporphyrin?
The IUPAC name of 22,23-dihydro-21H-corrin;5,10,15,20,21,22,23,24-octahydroporphyrin (CID 158967955) is 22,23-dihydro-21H-corrin;5,10,15,20,21,22,23,24-octahydroporphyrin.
What is the SMILES notation for 22,23-dihydro-21H-corrin;5,10,15,20,21,22,23,24-octahydroporphyrin?
The canonical SMILES for 22,23-dihydro-21H-corrin;5,10,15,20,21,22,23,24-octahydroporphyrin is C1=Cc2nc1cc1ccc(cc3ccc(cc4ccc2[nH]4)[nH]3)[nH]1.c1cc2[nH]c1Cc1ccc([nH]1)Cc1ccc([nH]1)Cc1ccc([nH]1)C2.
What is the InChIKey of 22,23-dihydro-21H-corrin;5,10,15,20,21,22,23,24-octahydroporphyrin?
The InChIKey is PAQACBUDHCRNSD-RMEMXYBHSA-N. The full InChI is InChI=1S/C20H20N4.C19H14N4/c1-2-14-10-16-5-6-18(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/h1-8,21-24H,9-12H2;1-11,20-22H/b;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;5,10,15,20,21,22,23,24-octahydroporphyrin?
22,23-dihydro-21H-corrin;5,10,15,20,21,22,23,24-octahydroporphyrin has a molecular weight of 614.76 g/mol, XLogP of 8.37, 0 rotatable bonds, 7 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 22,23-dihydro-21H-corrin;5,10,15,20,21,22,23,24-octahydroporphyrin is sourced from PubChem (CID 158967955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).