2-(4-chlorophenyl)porphyrin;hydrochloride

C26H16Cl2N4 — CID 175301142

IUPAC2-(4-chlorophenyl)porphyrin;hydrochloride
SMILESCl.Clc1ccc(C2=CC3=N/C2=C\C2=N/C(=C\C4=N/C(=C\C5=N/C(=C\3)C=C5)C=C4)C=C2)cc1
InChIInChI=1S/C26H15ClN4.ClH/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;/h1-15H;1H/b18-11-,19-12-,20-11-,21-12-,22-13-,23-15-,24-13-,26-15-;
InChIKeyBLMUBXQVCHFXQQ-LSEBBXRNSA-N
MW455.35 g/mol
LogP6.18
Rot. Bonds1

About 2-(4-chlorophenyl)porphyrin;hydrochloride

2-(4-chlorophenyl)porphyrin;hydrochloride (PubChem CID 175301142) has the molecular formula C26H16Cl2N4 and a molecular weight of 455.35 g/mol. Its IUPAC name is 2-(4-chlorophenyl)porphyrin;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)porphyrin;hydrochloride
PubChem CID175301142
Molecular FormulaC26H16Cl2N4
Molecular Weight455.35 g/mol
Exact Mass454.08
IUPAC Name2-(4-chlorophenyl)porphyrin;hydrochloride
SMILESCl.Clc1ccc(C2=CC3=N/C2=C\C2=N/C(=C\C4=N/C(=C\C5=N/C(=C\3)C=C5)C=C4)C=C2)cc1
InChIInChI=1S/C26H15ClN4.ClH/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;/h1-15H;1H/b18-11-,19-12-,20-11-,21-12-,22-13-,23-15-,24-13-,26-15-;
InChIKeyBLMUBXQVCHFXQQ-LSEBBXRNSA-N
XLogP6.18
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.35
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)porphyrin;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)porphyrin;hydrochloride (CID 175301142) is 2-(4-chlorophenyl)porphyrin;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)porphyrin;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)porphyrin;hydrochloride is Cl.Clc1ccc(C2=CC3=N/C2=C\C2=N/C(=C\C4=N/C(=C\C5=N/C(=C\3)C=C5)C=C4)C=C2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)porphyrin;hydrochloride?
The InChIKey is BLMUBXQVCHFXQQ-LSEBBXRNSA-N. The full InChI is InChI=1S/C26H15ClN4.ClH/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;/h1-15H;1H/b18-11-,19-12-,20-11-,21-12-,22-13-,23-15-,24-13-,26-15-;.
What are the key properties of 2-(4-chlorophenyl)porphyrin;hydrochloride?
2-(4-chlorophenyl)porphyrin;hydrochloride has a molecular weight of 455.35 g/mol, XLogP of 6.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)porphyrin;hydrochloride is sourced from PubChem (CID 175301142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).