9H-fluoren-9-ylmethyl N-[3-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]pyrrol-1-yl]propyl]carbamate

C41H47N9O6 — CID 10055921

About 9H-fluoren-9-ylmethyl N-[3-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]pyrrol-1-yl]propyl]carbamate

9H-fluoren-9-ylmethyl N-[3-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]pyrrol-1-yl]propyl]carbamate (PubChem CID 10055921) has the molecular formula C41H47N9O6 and a molecular weight of 761.88 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]pyrrol-1-yl]propyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[3-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]pyrrol-1-yl]propyl]carbamate
• PubChem CID: 10055921
• Molecular Formula: C41H47N9O6
• Molecular Weight: 761.88 g/mol
• Exact Mass: 761.36
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[3-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]pyrrol-1-yl]propyl]carbamate
• SMILES: CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2CCCNC(=O)OCC2c3ccccc3-c3ccccc32)cn1C
• InChI: InChI=1S/C41H47N9O6/c1-47(2)17-9-15-42-38(52)35-20-28(23-49(35)4)45-40(54)37-21-29(46-39(53)36-19-27(44-26-51)22-48(36)3)24-50(37)18-10-16-43-41(55)56-25-34-32-13-7-5-11-30(32)31-12-6-8-14-33(31)34/h5-8,11-14,19-24,26,34H,9-10,15-18,25H2,1-4H3,(H,42,52)(H,43,55)(H,44,51)(H,45,54)(H,46,53)
• InChIKey: NCTKUTYRRSBEGX-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 172.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	761.88
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]pyrrol-1-yl]propyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]pyrrol-1-yl]propyl]carbamate (CID 10055921) is 9H-fluoren-9-ylmethyl N-[3-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]pyrrol-1-yl]propyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]pyrrol-1-yl]propyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]pyrrol-1-yl]propyl]carbamate is CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2CCCNC(=O)OCC2c3ccccc3-c3ccccc32)cn1C.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]pyrrol-1-yl]propyl]carbamate?

The InChIKey is NCTKUTYRRSBEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H47N9O6/c1-47(2)17-9-15-42-38(52)35-20-28(23-49(35)4)45-40(54)37-21-29(46-39(53)36-19-27(44-26-51)22-48(36)3)24-50(37)18-10-16-43-41(55)56-25-34-32-13-7-5-11-30(32)31-12-6-8-14-33(31)34/h5-8,11-14,19-24,26,34H,9-10,15-18,25H2,1-4H3,(H,42,52)(H,43,55)(H,44,51)(H,45,54)(H,46,53).

What are the key properties of 9H-fluoren-9-ylmethyl N-[3-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]pyrrol-1-yl]propyl]carbamate?

9H-fluoren-9-ylmethyl N-[3-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]pyrrol-1-yl]propyl]carbamate has a molecular weight of 761.88 g/mol, XLogP of 4.85, 17 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[3-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]pyrrol-1-yl]propyl]carbamate is sourced from PubChem (CID 10055921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).