5,10,15,20-tetra(propan-2-yl)-21,22-dihydroporphyrin

C32H38N4 — CID 11092709

IUPAC5,10,15,20-tetra(propan-2-yl)-21,22-dihydroporphyrin
SMILESCC(C)c1c2nc(c(C(C)C)c3ccc([nH]3)c(C(C)C)c3ccc([nH]3)c(C(C)C)c3nc1C=C3)C=C2
InChIInChI=1S/C32H38N4/c1-17(2)29-21-9-11-23(33-21)30(18(3)4)25-13-15-27(35-25)32(20(7)8)28-16-14-26(36-28)31(19(5)6)24-12-10-22(29)34-24/h9-20,33-34H,1-8H3/b29-21-,29-22-,30-23-,30-25-,31-24-,31-26-,32-27-,32-28-
InChIKeyUBOMRNKEWBVIQE-LJRGVBPOSA-N
MW478.68 g/mol
LogP9.15
Rot. Bonds4

About 5,10,15,20-tetra(propan-2-yl)-21,22-dihydroporphyrin

5,10,15,20-tetra(propan-2-yl)-21,22-dihydroporphyrin (PubChem CID 11092709) has the molecular formula C32H38N4 and a molecular weight of 478.68 g/mol. Its IUPAC name is 5,10,15,20-tetra(propan-2-yl)-21,22-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetra(propan-2-yl)-21,22-dihydroporphyrin
PubChem CID11092709
Molecular FormulaC32H38N4
Molecular Weight478.68 g/mol
Exact Mass478.31
IUPAC Name5,10,15,20-tetra(propan-2-yl)-21,22-dihydroporphyrin
SMILESCC(C)c1c2nc(c(C(C)C)c3ccc([nH]3)c(C(C)C)c3ccc([nH]3)c(C(C)C)c3nc1C=C3)C=C2
InChIInChI=1S/C32H38N4/c1-17(2)29-21-9-11-23(33-21)30(18(3)4)25-13-15-27(35-25)32(20(7)8)28-16-14-26(36-28)31(19(5)6)24-12-10-22(29)34-24/h9-20,33-34H,1-8H3/b29-21-,29-22-,30-23-,30-25-,31-24-,31-26-,32-27-,32-28-
InChIKeyUBOMRNKEWBVIQE-LJRGVBPOSA-N
XLogP9.15
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.68
LogP ≤ 59.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,10,15,20-tetrakis[4-[bis[4-[10,15,20-tris(4-propan-2-ylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]phenyl]-21,23-dihydroporphyrin
CID 169321841
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
CID 144685388
CID 144685388
5,10,15,20-Tetraborylporphyrin
CID 25195400
13,18-diphenyl-36,37-di(propan-2-yl)-33,38,39,40-tetrazadecacyclo[28.5.2.19,12.114,17.119,22.02,7.08,34.023,32.024,29.031,35]tetraconta-1(35),2,4,6,8,10,12,14(39),15,17,19,21,23(32),24,26,28,30,33,36-nonadecaene
CID 136870453
5,10,15,20-tetraethyl-21,22-dihydroporphyrin;vanadium
CID 159214384
nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
2,5-dimethyl-4-propan-2-yl-1H-benzimidazole
CID 164840033
cobalt(2+);5,10,15,20-tetrakis(4-bromophenyl)-21,23-dihydroporphyrin
CID 175743178
33,34,35,36,37,38,39,40-octazanonacyclo[28.2.1.12,5.16,9.110,13.114,17.118,21.122,25.126,29]tetraconta-1,3,5(40),6(39),7,9,11,13(38),14(37),15,17,19,21(36),22(35),23,25,27,29(34),30(33),31-icosaene;33,34,35,36,37,38,39,40-octazanonacyclo[28.2.1.12,5.16,9.110,13.114,17.118,21.122,25.126,29]tetraconta-1,3,5,7,9(39),10(38),11,13,15,17(37),18,20,22(35),23,25,27,29(34),30(33),31-nonadecaene
CID 159003461
2,7,12,17,22,27,32,37,42,47-decakis(trifluoromethyl)-51,52,53,54,55,56,57,58,59,60-decazaundecacyclo[46.2.1.13,6.18,11.113,16.118,21.123,26.128,31.133,36.138,41.143,46]hexaconta-1(51),2,4,6,8,10,12,14,16(58),17,19,21,23(56),24,26,28,30,32,34,36,38(53),39,41,43,45,47,49-heptacosaene
CID 136859231
tetrakis(1-phenyl-4-propan-2-ylbenzene);ruthenium;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin;octachloride
CID 135955737

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetra(propan-2-yl)-21,22-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetra(propan-2-yl)-21,22-dihydroporphyrin (CID 11092709) is 5,10,15,20-tetra(propan-2-yl)-21,22-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetra(propan-2-yl)-21,22-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetra(propan-2-yl)-21,22-dihydroporphyrin is CC(C)c1c2nc(c(C(C)C)c3ccc([nH]3)c(C(C)C)c3ccc([nH]3)c(C(C)C)c3nc1C=C3)C=C2.
What is the InChIKey of 5,10,15,20-tetra(propan-2-yl)-21,22-dihydroporphyrin?
The InChIKey is UBOMRNKEWBVIQE-LJRGVBPOSA-N. The full InChI is InChI=1S/C32H38N4/c1-17(2)29-21-9-11-23(33-21)30(18(3)4)25-13-15-27(35-25)32(20(7)8)28-16-14-26(36-28)31(19(5)6)24-12-10-22(29)34-24/h9-20,33-34H,1-8H3/b29-21-,29-22-,30-23-,30-25-,31-24-,31-26-,32-27-,32-28-.
What are the key properties of 5,10,15,20-tetra(propan-2-yl)-21,22-dihydroporphyrin?
5,10,15,20-tetra(propan-2-yl)-21,22-dihydroporphyrin has a molecular weight of 478.68 g/mol, XLogP of 9.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetra(propan-2-yl)-21,22-dihydroporphyrin is sourced from PubChem (CID 11092709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).