(2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate

C49H42FN9O5P2 — CID 59882382

About (2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate

(2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate (PubChem CID 59882382) has the molecular formula C49H42FN9O5P2 and a molecular weight of 917.88 g/mol. Its IUPAC name is (2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate.

Molecular Properties

• Compound Name: (2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
• PubChem CID: 59882382
• Molecular Formula: C49H42FN9O5P2
• Molecular Weight: 917.88 g/mol
• Exact Mass: 917.28
• IUPAC Name: (2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
• SMILES: CCN(CC(=O)N1CCc2c1ccc1[nH]c(C(=O)N3CCc4c3ccc3[nH]c(C(=O)N5CCc6c5ccc5[nH]c(C(=O)OPPF)cc65)cc43)cc21)c1ccc(/N=N/c2ccccc2)cc1
• InChI: InChI=1S/C49H42FN9O5P2/c1-2-56(30-10-8-29(9-11-30)55-54-28-6-4-3-5-7-28)27-46(60)57-21-18-31-34-24-40(51-37(34)12-15-43(31)57)47(61)58-22-19-32-35-25-41(52-38(35)13-16-44(32)58)48(62)59-23-20-33-36-26-42(49(63)64-66-65-50)53-39(36)14-17-45(33)59/h3-17,24-26,51-53,65-66H,2,18-23,27H2,1H3/b55-54+
• InChIKey: DIZAYQGRUUEXEL-SBZZGWGOSA-N
• XLogP: 10.60
• TPSA: 162.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	917.88
LogP ≤ 5	10.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate?

The IUPAC name of (2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate (CID 59882382) is (2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate.

What is the SMILES notation for (2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate?

The canonical SMILES for (2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate is CCN(CC(=O)N1CCc2c1ccc1[nH]c(C(=O)N3CCc4c3ccc3[nH]c(C(=O)N5CCc6c5ccc5[nH]c(C(=O)OPPF)cc65)cc43)cc21)c1ccc(/N=N/c2ccccc2)cc1.

What is the InChIKey of (2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate?

The InChIKey is DIZAYQGRUUEXEL-SBZZGWGOSA-N. The full InChI is InChI=1S/C49H42FN9O5P2/c1-2-56(30-10-8-29(9-11-30)55-54-28-6-4-3-5-7-28)27-46(60)57-21-18-31-34-24-40(51-37(34)12-15-43(31)57)47(61)58-22-19-32-35-25-41(52-38(35)13-16-44(32)58)48(62)59-23-20-33-36-26-42(49(63)64-66-65-50)53-39(36)14-17-45(33)59/h3-17,24-26,51-53,65-66H,2,18-23,27H2,1H3/b55-54+.

What are the key properties of (2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate?

(2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate has a molecular weight of 917.88 g/mol, XLogP of 10.60, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate is sourced from PubChem (CID 59882382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).