7-(4-chlorophenyl)-21,23-dihydroporphyrin;vanadium

C26H17ClN4V — CID 175047395

IUPAC7-(4-chlorophenyl)-21,23-dihydroporphyrin;vanadium
SMILESClc1ccc(C2=Cc3cc4ccc(cc5nc(cc6ccc(cc2n3)[nH]6)C=C5)[nH]4)cc1.[V]
InChIInChI=1S/C26H17ClN4.V/c27-17-3-1-16(2-4-17)25-14-24-13-22-8-7-20(29-22)11-18-5-6-19(28-18)12-21-9-10-23(30-21)15-26(25)31-24;/h1-15,29-30H;/b18-11-,19-12-,20-11-,21-12-,22-13-,23-15-,24-13-,26-15-;
InChIKeyHYHBWGPTXVBOLA-LSEBBXRNSA-N
MW471.85 g/mol
LogP6.72
Rot. Bonds1

About 7-(4-chlorophenyl)-21,23-dihydroporphyrin;vanadium

7-(4-chlorophenyl)-21,23-dihydroporphyrin;vanadium (PubChem CID 175047395) has the molecular formula C26H17ClN4V and a molecular weight of 471.85 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-21,23-dihydroporphyrin;vanadium.

Molecular Properties

Compound Name7-(4-chlorophenyl)-21,23-dihydroporphyrin;vanadium
PubChem CID175047395
Molecular FormulaC26H17ClN4V
Molecular Weight471.85 g/mol
Exact Mass471.06
IUPAC Name7-(4-chlorophenyl)-21,23-dihydroporphyrin;vanadium
SMILESClc1ccc(C2=Cc3cc4ccc(cc5nc(cc6ccc(cc2n3)[nH]6)C=C5)[nH]4)cc1.[V]
InChIInChI=1S/C26H17ClN4.V/c27-17-3-1-16(2-4-17)25-14-24-13-22-8-7-20(29-22)11-18-5-6-19(28-18)12-21-9-10-23(30-21)15-26(25)31-24;/h1-15,29-30H;/b18-11-,19-12-,20-11-,21-12-,22-13-,23-15-,24-13-,26-15-;
InChIKeyHYHBWGPTXVBOLA-LSEBBXRNSA-N
XLogP6.72
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.85
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,15-Diphenyl-21H,23H-porphine
CID 10895852
5,10,15,20-Tetraphenyl-21,22-dihydroporphyrin
CID 70186
5,15-Diphenyl-2,3,22,24-tetrahydroporphyrin
CID 11719635
5,10,15,20-Tetrakis(4-aminophenyl)-21H,23H-porphine
CID 135411734
Tetraphenylporphyrin
CID 86280046
5,10,15,20-Tetrakis(p-tolyl)porphyrin
CID 135401992
Tetrakis(o-aminophenyl)porphyrin
CID 135431066
5,10,15,20-Tetraphenyl-21,23-dihydroporphyrin;ZINC
CID 136248795
5,10,15,20-Tetrakis(4-chlorophenyl)-7-pyrrolidin-1-yl-21,23-dihydroporphyrin
CID 162662696
Tetrapentylporphyrin
CID 382954
21H,23H-Porphine, 5,10,15,20-tetrakis(4-chlorophenyl)-
CID 135403279
5-(4-Aminophenyl)-10,15,20-triphenylporphyrin
CID 135423398

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-21,23-dihydroporphyrin;vanadium?
The IUPAC name of 7-(4-chlorophenyl)-21,23-dihydroporphyrin;vanadium (CID 175047395) is 7-(4-chlorophenyl)-21,23-dihydroporphyrin;vanadium.
What is the SMILES notation for 7-(4-chlorophenyl)-21,23-dihydroporphyrin;vanadium?
The canonical SMILES for 7-(4-chlorophenyl)-21,23-dihydroporphyrin;vanadium is Clc1ccc(C2=Cc3cc4ccc(cc5nc(cc6ccc(cc2n3)[nH]6)C=C5)[nH]4)cc1.[V].
What is the InChIKey of 7-(4-chlorophenyl)-21,23-dihydroporphyrin;vanadium?
The InChIKey is HYHBWGPTXVBOLA-LSEBBXRNSA-N. The full InChI is InChI=1S/C26H17ClN4.V/c27-17-3-1-16(2-4-17)25-14-24-13-22-8-7-20(29-22)11-18-5-6-19(28-18)12-21-9-10-23(30-21)15-26(25)31-24;/h1-15,29-30H;/b18-11-,19-12-,20-11-,21-12-,22-13-,23-15-,24-13-,26-15-;.
What are the key properties of 7-(4-chlorophenyl)-21,23-dihydroporphyrin;vanadium?
7-(4-chlorophenyl)-21,23-dihydroporphyrin;vanadium has a molecular weight of 471.85 g/mol, XLogP of 6.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-21,23-dihydroporphyrin;vanadium is sourced from PubChem (CID 175047395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).