2-phenylporphyrin

C26H16N4 — CID 66696851

IUPAC2-phenylporphyrin
SMILESC1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C(c1ccccc1)=C4)C=C3
InChIInChI=1S/C26H16N4/c1-2-4-17(5-3-1)25-15-24-14-22-9-8-20(28-22)12-18-6-7-19(27-18)13-21-10-11-23(29-21)16-26(25)30-24/h1-16H/b18-12-,19-13-,20-12-,21-13-,22-14-,23-16-,24-14-,26-16-
InChIKeyXZTGDQOXDUIKAB-QACVNNBASA-N
MW384.44 g/mol
LogP5.11
Rot. Bonds1

About 2-phenylporphyrin

2-phenylporphyrin (PubChem CID 66696851) has the molecular formula C26H16N4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-phenylporphyrin.

Molecular Properties

Compound Name2-phenylporphyrin
PubChem CID66696851
Molecular FormulaC26H16N4
Molecular Weight384.44 g/mol
Exact Mass384.14
IUPAC Name2-phenylporphyrin
SMILESC1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C(c1ccccc1)=C4)C=C3
InChIInChI=1S/C26H16N4/c1-2-4-17(5-3-1)25-15-24-14-22-9-8-20(28-22)12-18-6-7-19(27-18)13-21-10-11-23(29-21)16-26(25)30-24/h1-16H/b18-12-,19-13-,20-12-,21-13-,22-14-,23-16-,24-14-,26-16-
InChIKeyXZTGDQOXDUIKAB-QACVNNBASA-N
XLogP5.11
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-porphyrin-2-ylbenzenethiol
CID 175242866
2-(4-chlorophenyl)porphyrin;hydrochloride
CID 175301142
2-(3-methylthiophen-2-yl)porphyrin
CID 174576579
2-[1-(2-fluoroethyl)pyridin-1-ium-2-yl]porphyrin;pentahydrochloride
CID 175032217
2-(2-octoxyphenyl)porphyrin
CID 174864440
porphyrin;zinc
CID 66593577
bismuthane;porphyrin
CID 174978505
cobalt;porphyrin
CID 69089029
sodium 3-phenylporphyrin-2-sulfonate
CID 87971901
copper;3,5,7,8-tetraphenylporphyrin-2-amine
CID 175306906
gallane;2,3,5,7-tetraphenylporphyrin;hydrochloride
CID 175401527
2,3-dibromoporphyrin
CID 66625695

Frequently Asked Questions

What is the IUPAC name of 2-phenylporphyrin?
The IUPAC name of 2-phenylporphyrin (CID 66696851) is 2-phenylporphyrin.
What is the SMILES notation for 2-phenylporphyrin?
The canonical SMILES for 2-phenylporphyrin is C1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C(c1ccccc1)=C4)C=C3.
What is the InChIKey of 2-phenylporphyrin?
The InChIKey is XZTGDQOXDUIKAB-QACVNNBASA-N. The full InChI is InChI=1S/C26H16N4/c1-2-4-17(5-3-1)25-15-24-14-22-9-8-20(28-22)12-18-6-7-19(27-18)13-21-10-11-23(29-21)16-26(25)30-24/h1-16H/b18-12-,19-13-,20-12-,21-13-,22-14-,23-16-,24-14-,26-16-.
What are the key properties of 2-phenylporphyrin?
2-phenylporphyrin has a molecular weight of 384.44 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylporphyrin is sourced from PubChem (CID 66696851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).