5,10,15,20-Tetraborylporphyrin

C20H10B4N4 — CID 25195400

IUPAC—
SMILES[B]c1c2nc(c([B])c3ccc([nH]3)c([B])c3ccc([nH]3)c([B])c3nc1C=C3)C=C2
InChIInChI=1S/C20H10B4N4/c21-17-9-1-2-10(25-9)18(22)12-5-6-14(27-12)20(24)16-8-7-15(28-16)19(23)13-4-3-11(17)26-13/h1-8,25-26H/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+
InChIKeyCLYKYEJJUMNBJF-OTHQCIQNSA-N
MW349.58 g/mol
LogP-0.17
Rot. Bonds

About 5,10,15,20-Tetraborylporphyrin

5,10,15,20-Tetraborylporphyrin (PubChem CID 25195400) has the molecular formula C20H10B4N4 and a molecular weight of 349.58 g/mol.

Molecular Properties

Compound Name5,10,15,20-Tetraborylporphyrin
PubChem CID25195400
Molecular FormulaC20H10B4N4
Molecular Weight349.58 g/mol
Exact Mass350.13
IUPAC Name—
SMILES[B]c1c2nc(c([B])c3ccc([nH]3)c([B])c3ccc([nH]3)c([B])c3nc1C=C3)C=C2
InChIInChI=1S/C20H10B4N4/c21-17-9-1-2-10(25-9)18(22)12-5-6-14(27-12)20(24)16-8-7-15(28-16)19(23)13-4-3-11(17)26-13/h1-8,25-26H/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+
InChIKeyCLYKYEJJUMNBJF-OTHQCIQNSA-N
XLogP-0.17
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.58
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,7,12-tris(2,3,4,5,6-pentafluorophenyl)-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(16),2,4,6,8,10,12,14-octaene
CID 102382676
CID 144685388
CID 144685388
5,10,15,20-tetraethyl-21,22-dihydroporphyrin;vanadium
CID 159214384
15-[10,15-bis(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-5,10-bis(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin
CID 137265355
5,10,15,20-tetra(propan-2-yl)-21,22-dihydroporphyrin
CID 11092709
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
5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin;hydrochloride
CID 172772956
5,10,15,20-tetrakis(trifluoromethyl)-21,22-dihydroporphyrin
CID 10099782
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
5,10,15-tris(2,6-dibromophenyl)-22,23-dihydro-21H-corrin
CID 137266912
5,10,15,20-tetrakis(4-iodophenyl)-21,23-dihydroporphyrin
CID 135546579

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-Tetraborylporphyrin?
The IUPAC name of 5,10,15,20-Tetraborylporphyrin (CID 25195400) is not available.
What is the SMILES notation for 5,10,15,20-Tetraborylporphyrin?
The canonical SMILES for 5,10,15,20-Tetraborylporphyrin is [B]c1c2nc(c([B])c3ccc([nH]3)c([B])c3ccc([nH]3)c([B])c3nc1C=C3)C=C2.
What is the InChIKey of 5,10,15,20-Tetraborylporphyrin?
The InChIKey is CLYKYEJJUMNBJF-OTHQCIQNSA-N. The full InChI is InChI=1S/C20H10B4N4/c21-17-9-1-2-10(25-9)18(22)12-5-6-14(27-12)20(24)16-8-7-15(28-16)19(23)13-4-3-11(17)26-13/h1-8,25-26H/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+.
What are the key properties of 5,10,15,20-Tetraborylporphyrin?
5,10,15,20-Tetraborylporphyrin has a molecular weight of 349.58 g/mol, XLogP of -0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-Tetraborylporphyrin is sourced from PubChem (CID 25195400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).