ethyl N-[(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)imino]carbamate

C35H26N6O2 — CID 136901198

About ethyl N-[(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)imino]carbamate

ethyl N-[(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)imino]carbamate (PubChem CID 136901198) has the molecular formula C35H26N6O2 and a molecular weight of 562.63 g/mol. Its IUPAC name is ethyl N-[(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)imino]carbamate.

Molecular Properties

• Compound Name: ethyl N-[(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)imino]carbamate
• PubChem CID: 136901198
• Molecular Formula: C35H26N6O2
• Molecular Weight: 562.63 g/mol
• Exact Mass: 562.21
• IUPAC Name: ethyl N-[(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)imino]carbamate
• SMILES: CCOC(=O)/N=N/c1c2nc(c(-c3ccccc3)c3ccc(cc4nc(c(-c5ccccc5)c5ccc1[nH]5)C=C4)[nH]3)C=C2
• InChI: InChI=1S/C35H26N6O2/c1-2-43-35(42)41-40-34-30-19-17-28(38-30)32(22-9-5-3-6-10-22)26-15-13-24(36-26)21-25-14-16-27(37-25)33(23-11-7-4-8-12-23)29-18-20-31(34)39-29/h3-21,36,39H,2H2,1H3/b24-21-,25-21-,32-26-,32-28-,33-27-,33-29-,34-30+,34-31+,41-40+
• InChIKey: PJZJCLLTKKOPIB-FYAMNMGISA-N
• XLogP: 9.23
• TPSA: 108.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.63
LogP ≤ 5	9.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)imino]carbamate?

The IUPAC name of ethyl N-[(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)imino]carbamate (CID 136901198) is ethyl N-[(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)imino]carbamate.

What is the SMILES notation for ethyl N-[(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)imino]carbamate?

The canonical SMILES for ethyl N-[(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)imino]carbamate is CCOC(=O)/N=N/c1c2nc(c(-c3ccccc3)c3ccc(cc4nc(c(-c5ccccc5)c5ccc1[nH]5)C=C4)[nH]3)C=C2.

What is the InChIKey of ethyl N-[(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)imino]carbamate?

The InChIKey is PJZJCLLTKKOPIB-FYAMNMGISA-N. The full InChI is InChI=1S/C35H26N6O2/c1-2-43-35(42)41-40-34-30-19-17-28(38-30)32(22-9-5-3-6-10-22)26-15-13-24(36-26)21-25-14-16-27(37-25)33(23-11-7-4-8-12-23)29-18-20-31(34)39-29/h3-21,36,39H,2H2,1H3/b24-21-,25-21-,32-26-,32-28-,33-27-,33-29-,34-30+,34-31+,41-40+.

What are the key properties of ethyl N-[(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)imino]carbamate?

ethyl N-[(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)imino]carbamate has a molecular weight of 562.63 g/mol, XLogP of 9.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)imino]carbamate is sourced from PubChem (CID 136901198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).