3-phenylporphyrin-2-amine

C26H17N5 — CID 174821165

IUPAC3-phenylporphyrin-2-amine
SMILESNC1=C(c2ccccc2)C2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
InChIInChI=1S/C26H17N5/c27-26-24-15-22-11-9-20(30-22)13-18-7-6-17(28-18)12-19-8-10-21(29-19)14-23(31-24)25(26)16-4-2-1-3-5-16/h1-15H,27H2/b17-12-,18-13-,19-12-,20-13-,21-14-,22-15-,23-14-,24-15-
InChIKeyUBVPTEZWMJVDMY-WJXZCBKTSA-N
MW399.46 g/mol
LogP4.39
Rot. Bonds1

About 3-phenylporphyrin-2-amine

3-phenylporphyrin-2-amine (PubChem CID 174821165) has the molecular formula C26H17N5 and a molecular weight of 399.46 g/mol. Its IUPAC name is 3-phenylporphyrin-2-amine.

Molecular Properties

Compound Name3-phenylporphyrin-2-amine
PubChem CID174821165
Molecular FormulaC26H17N5
Molecular Weight399.46 g/mol
Exact Mass399.15
IUPAC Name3-phenylporphyrin-2-amine
SMILESNC1=C(c2ccccc2)C2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
InChIInChI=1S/C26H17N5/c27-26-24-15-22-11-9-20(30-22)13-18-7-6-17(28-18)12-19-8-10-21(29-19)14-23(31-24)25(26)16-4-2-1-3-5-16/h1-15H,27H2/b17-12-,18-13-,19-12-,20-13-,21-14-,22-15-,23-14-,24-15-
InChIKeyUBVPTEZWMJVDMY-WJXZCBKTSA-N
XLogP4.39
TPSA75.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenylporphyrin-2-amine?
The IUPAC name of 3-phenylporphyrin-2-amine (CID 174821165) is 3-phenylporphyrin-2-amine.
What is the SMILES notation for 3-phenylporphyrin-2-amine?
The canonical SMILES for 3-phenylporphyrin-2-amine is NC1=C(c2ccccc2)C2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1.
What is the InChIKey of 3-phenylporphyrin-2-amine?
The InChIKey is UBVPTEZWMJVDMY-WJXZCBKTSA-N. The full InChI is InChI=1S/C26H17N5/c27-26-24-15-22-11-9-20(30-22)13-18-7-6-17(28-18)12-19-8-10-21(29-19)14-23(31-24)25(26)16-4-2-1-3-5-16/h1-15H,27H2/b17-12-,18-13-,19-12-,20-13-,21-14-,22-15-,23-14-,24-15-.
What are the key properties of 3-phenylporphyrin-2-amine?
3-phenylporphyrin-2-amine has a molecular weight of 399.46 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylporphyrin-2-amine is sourced from PubChem (CID 174821165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).