9H-fluoren-9-ylmethyl N-[3-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]propyl]-N-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylamino]butyl]carbamate

C60H72N4O5 — CID 11707827

About 9H-fluoren-9-ylmethyl N-[3-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]propyl]-N-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylamino]butyl]carbamate

9H-fluoren-9-ylmethyl N-[3-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]propyl]-N-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylamino]butyl]carbamate (PubChem CID 11707827) has the molecular formula C60H72N4O5 and a molecular weight of 929.26 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]propyl]-N-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylamino]butyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[3-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]propyl]-N-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylamino]butyl]carbamate
• PubChem CID: 11707827
• Molecular Formula: C60H72N4O5
• Molecular Weight: 929.26 g/mol
• Exact Mass: 928.55
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[3-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]propyl]-N-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylamino]butyl]carbamate
• SMILES: CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCCCN(CCCCNCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)CCC1
• InChI: InChI=1S/C60H72N4O5/c1-43(31-32-56-45(3)22-17-33-60(56,4)5)20-16-21-44(2)40-57(65)62-37-19-39-64(59(67)69-42-55-52-29-12-8-25-48(52)49-26-9-13-30-53(49)55)38-15-14-34-61-35-18-36-63-58(66)68-41-54-50-27-10-6-23-46(50)47-24-7-11-28-51(47)54/h6-13,16,20-21,23-32,40,54-55,61H,14-15,17-19,22,33-39,41-42H2,1-5H3,(H,62,65)(H,63,66)/b21-16+,32-31+,43-20+,44-40+
• InChIKey: BZSLSTGCKRRBBV-CEBYYTPCSA-N
• XLogP: 12.57
• TPSA: 109.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 22
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	929.26
LogP ≤ 5	12.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]propyl]-N-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylamino]butyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]propyl]-N-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylamino]butyl]carbamate (CID 11707827) is 9H-fluoren-9-ylmethyl N-[3-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]propyl]-N-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylamino]butyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]propyl]-N-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylamino]butyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]propyl]-N-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylamino]butyl]carbamate is CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCCCN(CCCCNCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)CCC1.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]propyl]-N-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylamino]butyl]carbamate?

The InChIKey is BZSLSTGCKRRBBV-CEBYYTPCSA-N. The full InChI is InChI=1S/C60H72N4O5/c1-43(31-32-56-45(3)22-17-33-60(56,4)5)20-16-21-44(2)40-57(65)62-37-19-39-64(59(67)69-42-55-52-29-12-8-25-48(52)49-26-9-13-30-53(49)55)38-15-14-34-61-35-18-36-63-58(66)68-41-54-50-27-10-6-23-46(50)47-24-7-11-28-51(47)54/h6-13,16,20-21,23-32,40,54-55,61H,14-15,17-19,22,33-39,41-42H2,1-5H3,(H,62,65)(H,63,66)/b21-16+,32-31+,43-20+,44-40+.

What are the key properties of 9H-fluoren-9-ylmethyl N-[3-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]propyl]-N-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylamino]butyl]carbamate?

9H-fluoren-9-ylmethyl N-[3-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]propyl]-N-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylamino]butyl]carbamate has a molecular weight of 929.26 g/mol, XLogP of 12.57, 22 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[3-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]propyl]-N-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylamino]butyl]carbamate is sourced from PubChem (CID 11707827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).