5,10,15,20-tetraethyl-21,22-dihydroporphyrin;vanadium

C28H30N4V — CID 159214384

IUPAC5,10,15,20-tetraethyl-21,22-dihydroporphyrin;vanadium
SMILESCCc1c2nc(c(CC)c3ccc([nH]3)c(CC)c3ccc([nH]3)c(CC)c3nc1C=C3)C=C2.[V]
InChIInChI=1S/C28H30N4.V/c1-5-17-21-9-11-23(29-21)18(6-2)25-13-15-27(31-25)20(8-4)28-16-14-26(32-28)19(7-3)24-12-10-22(17)30-24;/h9-16,29-30H,5-8H2,1-4H3;/b21-17-,22-17-,23-18-,24-19-,25-18-,26-19-,27-20-,28-20-;
InChIKeyAPCLNQYYIMCWIB-QYXUKJHESA-N
MW473.52 g/mol
LogP6.90
Rot. Bonds4

About 5,10,15,20-tetraethyl-21,22-dihydroporphyrin;vanadium

5,10,15,20-tetraethyl-21,22-dihydroporphyrin;vanadium (PubChem CID 159214384) has the molecular formula C28H30N4V and a molecular weight of 473.52 g/mol. Its IUPAC name is 5,10,15,20-tetraethyl-21,22-dihydroporphyrin;vanadium.

Molecular Properties

Compound Name5,10,15,20-tetraethyl-21,22-dihydroporphyrin;vanadium
PubChem CID159214384
Molecular FormulaC28H30N4V
Molecular Weight473.52 g/mol
Exact Mass473.19
IUPAC Name5,10,15,20-tetraethyl-21,22-dihydroporphyrin;vanadium
SMILESCCc1c2nc(c(CC)c3ccc([nH]3)c(CC)c3ccc([nH]3)c(CC)c3nc1C=C3)C=C2.[V]
InChIInChI=1S/C28H30N4.V/c1-5-17-21-9-11-23(29-21)18(6-2)25-13-15-27(31-25)20(8-4)28-16-14-26(32-28)19(7-3)24-12-10-22(17)30-24;/h9-16,29-30H,5-8H2,1-4H3;/b21-17-,22-17-,23-18-,24-19-,25-18-,26-19-,27-20-,28-20-;
InChIKeyAPCLNQYYIMCWIB-QYXUKJHESA-N
XLogP6.90
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.52
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,10,15-triethyl-20-thiophen-3-yl-21,22-dihydroporphyrin
CID 177438322
5,10,15,20-tetra(tridecyl)-21,22-dihydroporphyrin
CID 86045230
chromium;5,10,15,20-tetrabutyl-21,22-dihydroporphyrin
CID 158233233
CID 132917217
CID 132917217
4-[[10,15,20-tris[(4-aminophenyl)methyl]-21,24-dihydroporphyrin-5-yl]methyl]aniline
CID 102403895
10,20-dipentyl-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin
CID 10699782
5,10,15,20-Tetraborylporphyrin
CID 25195400
10,15,20-tripentyl-5-[4-[2-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]ethynyl]phenyl]-21,22-dihydroporphyrin
CID 11194197
5,10,15,20-tetrakis[(1,3-diethylimidazol-1-ium-2-yl)methyl]-21,22-dihydroporphyrin
CID 10234790
5,15-bis(4-ethynylphenyl)-10,20-dipentyl-21,22-dihydroporphyrin
CID 136754225
2-[10,20-dipentyl-15-[2-tri(propan-2-yl)silylethynyl]-21,22-dihydroporphyrin-5-yl]ethynyl-tri(propan-2-yl)silane
CID 162097360
(10,20-dibutyl-23,24-dihydroporphyrin-5-yl)methyl-trimethylsilane
CID 71518795

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetraethyl-21,22-dihydroporphyrin;vanadium?
The IUPAC name of 5,10,15,20-tetraethyl-21,22-dihydroporphyrin;vanadium (CID 159214384) is 5,10,15,20-tetraethyl-21,22-dihydroporphyrin;vanadium.
What is the SMILES notation for 5,10,15,20-tetraethyl-21,22-dihydroporphyrin;vanadium?
The canonical SMILES for 5,10,15,20-tetraethyl-21,22-dihydroporphyrin;vanadium is CCc1c2nc(c(CC)c3ccc([nH]3)c(CC)c3ccc([nH]3)c(CC)c3nc1C=C3)C=C2.[V].
What is the InChIKey of 5,10,15,20-tetraethyl-21,22-dihydroporphyrin;vanadium?
The InChIKey is APCLNQYYIMCWIB-QYXUKJHESA-N. The full InChI is InChI=1S/C28H30N4.V/c1-5-17-21-9-11-23(29-21)18(6-2)25-13-15-27(31-25)20(8-4)28-16-14-26(32-28)19(7-3)24-12-10-22(17)30-24;/h9-16,29-30H,5-8H2,1-4H3;/b21-17-,22-17-,23-18-,24-19-,25-18-,26-19-,27-20-,28-20-;.
What are the key properties of 5,10,15,20-tetraethyl-21,22-dihydroporphyrin;vanadium?
5,10,15,20-tetraethyl-21,22-dihydroporphyrin;vanadium has a molecular weight of 473.52 g/mol, XLogP of 6.90, 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-tetraethyl-21,22-dihydroporphyrin;vanadium is sourced from PubChem (CID 159214384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).