2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline

C38H28N6 — CID 141332730

About 2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline

2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline (PubChem CID 141332730) has the molecular formula C38H28N6 and a molecular weight of 568.68 g/mol. Its IUPAC name is 2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline.

Molecular Properties

• Compound Name: 2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline
• PubChem CID: 141332730
• Molecular Formula: C38H28N6
• Molecular Weight: 568.68 g/mol
• Exact Mass: 568.24
• IUPAC Name: 2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline
• SMILES: Nc1ccccc1-c1c2nc(c(-c3ccccc3N)c3ccc([nH]3)c(-c3ccccc3)c3nc(cc4ccc1[nH]4)C=C3)C=C2
• InChI: InChI=1S/C38H28N6/c39-28-12-6-4-10-26(28)37-32-17-15-25(42-32)22-24-14-16-30(41-24)36(23-8-2-1-3-9-23)31-18-19-34(43-31)38(35-21-20-33(37)44-35)27-11-5-7-13-29(27)40/h1-22,42-43H,39-40H2/b24-22-,25-22-,36-30-,36-31-,37-32-,37-33-,38-34-,38-35-
• InChIKey: RDLNIDBIGSPFNB-PXIOSUESSA-N
• XLogP: 8.82
• TPSA: 109.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.68
LogP ≤ 5	8.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline?

The IUPAC name of 2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline (CID 141332730) is 2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline.

What is the SMILES notation for 2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline?

The canonical SMILES for 2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline is Nc1ccccc1-c1c2nc(c(-c3ccccc3N)c3ccc([nH]3)c(-c3ccccc3)c3nc(cc4ccc1[nH]4)C=C3)C=C2.

What is the InChIKey of 2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline?

The InChIKey is RDLNIDBIGSPFNB-PXIOSUESSA-N. The full InChI is InChI=1S/C38H28N6/c39-28-12-6-4-10-26(28)37-32-17-15-25(42-32)22-24-14-16-30(41-24)36(23-8-2-1-3-9-23)31-18-19-34(43-31)38(35-21-20-33(37)44-35)27-11-5-7-13-29(27)40/h1-22,42-43H,39-40H2/b24-22-,25-22-,36-30-,36-31-,37-32-,37-33-,38-34-,38-35-.

What are the key properties of 2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline?

2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline has a molecular weight of 568.68 g/mol, XLogP of 8.82, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline is sourced from PubChem (CID 141332730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).