(2-fluorodiphosphanyl) 6-[6-[6-[3-[4-[(2-chloro-4-methylphenyl)diazenyl]phenyl]pentanoyl]-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

C51H44ClFN8O5P2 — CID 59882364

About (2-fluorodiphosphanyl) 6-[6-[6-[3-[4-[(2-chloro-4-methylphenyl)diazenyl]phenyl]pentanoyl]-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-[3-[4-[(2-chloro-4-methylphenyl)diazenyl]phenyl]pentanoyl]-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 59882364) has the molecular formula C51H44ClFN8O5P2 and a molecular weight of 965.36 g/mol. Its IUPAC name is (2-fluorodiphosphanyl) 6-[6-[6-[3-[4-[(2-chloro-4-methylphenyl)diazenyl]phenyl]pentanoyl]-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-[3-[4-[(2-chloro-4-methylphenyl)diazenyl]phenyl]pentanoyl]-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: 59882364
• Molecular Formula: C51H44ClFN8O5P2
• Molecular Weight: 965.36 g/mol
• Exact Mass: 964.26
• IUPAC Name: (2-fluorodiphosphanyl) 6-[6-[6-[3-[4-[(2-chloro-4-methylphenyl)diazenyl]phenyl]pentanoyl]-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: CCC(CC(=O)N1CCc2c1ccc1[nH]c(C(=O)N3CCc4c3ccc3[nH]c(C(=O)N5CCc6c5ccc5[nH]c(C(=O)OPPF)cc65)cc43)cc21)c1ccc(/N=N/c2ccc(C)cc2Cl)cc1
• InChI: InChI=1S/C51H44ClFN8O5P2/c1-3-28(29-5-7-30(8-6-29)57-58-41-9-4-27(2)22-37(41)52)23-48(62)59-19-16-31-34-24-42(54-38(34)10-13-45(31)59)49(63)60-20-17-32-35-25-43(55-39(35)11-14-46(32)60)50(64)61-21-18-33-36-26-44(51(65)66-68-67-53)56-40(36)12-15-47(33)61/h4-15,22,24-26,28,54-56,67-68H,3,16-21,23H2,1-2H3/b58-57+
• InChIKey: SCUCPAXYQJXOEF-UPRQXYPZSA-N
• XLogP: 12.61
• TPSA: 159.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	965.36
LogP ≤ 5	12.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'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-[3-[4-[(2-chloro-4-methylphenyl)diazenyl]phenyl]pentanoyl]-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-[3-[4-[(2-chloro-4-methylphenyl)diazenyl]phenyl]pentanoyl]-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 59882364) is (2-fluorodiphosphanyl) 6-[6-[6-[3-[4-[(2-chloro-4-methylphenyl)diazenyl]phenyl]pentanoyl]-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-[3-[4-[(2-chloro-4-methylphenyl)diazenyl]phenyl]pentanoyl]-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-[3-[4-[(2-chloro-4-methylphenyl)diazenyl]phenyl]pentanoyl]-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 CCC(CC(=O)N1CCc2c1ccc1[nH]c(C(=O)N3CCc4c3ccc3[nH]c(C(=O)N5CCc6c5ccc5[nH]c(C(=O)OPPF)cc65)cc43)cc21)c1ccc(/N=N/c2ccc(C)cc2Cl)cc1.

What is the InChIKey of (2-fluorodiphosphanyl) 6-[6-[6-[3-[4-[(2-chloro-4-methylphenyl)diazenyl]phenyl]pentanoyl]-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 SCUCPAXYQJXOEF-UPRQXYPZSA-N. The full InChI is InChI=1S/C51H44ClFN8O5P2/c1-3-28(29-5-7-30(8-6-29)57-58-41-9-4-27(2)22-37(41)52)23-48(62)59-19-16-31-34-24-42(54-38(34)10-13-45(31)59)49(63)60-20-17-32-35-25-43(55-39(35)11-14-46(32)60)50(64)61-21-18-33-36-26-44(51(65)66-68-67-53)56-40(36)12-15-47(33)61/h4-15,22,24-26,28,54-56,67-68H,3,16-21,23H2,1-2H3/b58-57+.

What are the key properties of (2-fluorodiphosphanyl) 6-[6-[6-[3-[4-[(2-chloro-4-methylphenyl)diazenyl]phenyl]pentanoyl]-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-[3-[4-[(2-chloro-4-methylphenyl)diazenyl]phenyl]pentanoyl]-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 965.36 g/mol, XLogP of 12.61, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2-fluorodiphosphanyl) 6-[6-[6-[3-[4-[(2-chloro-4-methylphenyl)diazenyl]phenyl]pentanoyl]-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 59882364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).