9H-fluoren-9-ylmethyl N-[6-[[6-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-(methylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-6-oxohexyl]amino]-6-oxohexyl]carbamate

C68H113N15O12 — CID 59809159

IUPAC9H-fluoren-9-ylmethyl N-[6-[[6-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-(methylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-6-oxohexyl]amino]-6-oxohexyl]carbamate
SMILESCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CCCCCNC(=O)CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CCCCCN)C(=O)CCCCCN)C(=O)CCCCCN)C(=O)CCCCCN
InChIInChI=1S/C68H113N15O12/c1-73-60(86)48-80(64(90)30-10-2-18-34-69)45-41-76-62(88)50-82(66(92)32-12-4-20-36-71)47-43-78-63(89)51-83(67(93)33-13-5-21-37-72)46-42-77-61(87)49-81(65(91)31-11-3-19-35-70)44-40-75-59(85)29-8-6-22-38-74-58(84)28-9-7-23-39-79-68(94)95-52-57-55-26-16-14-24-53(55)54-25-15-17-27-56(54)57/h14-17,24-27,57H,2-13,18-23,28-52,69-72H2,1H3,(H,73,86)(H,74,84)(H,75,85)(H,76,88)(H,77,87)(H,78,89)(H,79,94)
InChIKeyZMXHEWWPUPSCRG-UHFFFAOYSA-N
MW1332.74 g/mol
LogP2.36
Rot. Bonds54

About 9H-fluoren-9-ylmethyl N-[6-[[6-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-(methylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-6-oxohexyl]amino]-6-oxohexyl]carbamate

9H-fluoren-9-ylmethyl N-[6-[[6-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-(methylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-6-oxohexyl]amino]-6-oxohexyl]carbamate (PubChem CID 59809159) has the molecular formula C68H113N15O12 and a molecular weight of 1332.74 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[6-[[6-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-(methylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-6-oxohexyl]amino]-6-oxohexyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[6-[[6-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-(methylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-6-oxohexyl]amino]-6-oxohexyl]carbamate
PubChem CID59809159
Molecular FormulaC68H113N15O12
Molecular Weight1332.74 g/mol
Exact Mass1331.87
IUPAC Name9H-fluoren-9-ylmethyl N-[6-[[6-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-(methylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-6-oxohexyl]amino]-6-oxohexyl]carbamate
SMILESCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CCCCCNC(=O)CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CCCCCN)C(=O)CCCCCN)C(=O)CCCCCN)C(=O)CCCCCN
InChIInChI=1S/C68H113N15O12/c1-73-60(86)48-80(64(90)30-10-2-18-34-69)45-41-76-62(88)50-82(66(92)32-12-4-20-36-71)47-43-78-63(89)51-83(67(93)33-13-5-21-37-72)46-42-77-61(87)49-81(65(91)31-11-3-19-35-70)44-40-75-59(85)29-8-6-22-38-74-58(84)28-9-7-23-39-79-68(94)95-52-57-55-26-16-14-24-53(55)54-25-15-17-27-56(54)57/h14-17,24-27,57H,2-13,18-23,28-52,69-72H2,1H3,(H,73,86)(H,74,84)(H,75,85)(H,76,88)(H,77,87)(H,78,89)(H,79,94)
InChIKeyZMXHEWWPUPSCRG-UHFFFAOYSA-N
XLogP2.36
TPSA398.25 Ų
H-Bond Donors11
H-Bond Acceptors16
Rotatable Bonds54
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001332.74
LogP ≤ 52.36
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 9H-fluoren-9-ylmethyl N-[6-[[6-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-(methylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-6-oxohexyl]amino]-6-oxohexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl-[2-[2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl-[2-[2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl-[2-[2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl-[2-[2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl-[2-oxo-2-[[6-oxo-6-(propylamino)hexyl]amino]ethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethyl]carbamate
CID 59809078
9H-fluoren-9-ylmethyl 3-[[6-[2-acetamidoethyl-[2-[2-[6-[[3-(9H-fluoren-9-ylmethoxy)-3-oxopropyl]amino]hexanoyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]propanoate
CID 59809075
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
2-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid
CID 177475678
(Z)-N-ethyloctadec-9-enamide;9H-fluoren-9-ylmethyl 2-[[6-[2-(decanoylamino)ethyl-[2-[2-[6-[[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]amino]hexanoyl-[2-[2-[6-[[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]amino]hexanoyl-[2-[2-[6-[[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]amino]hexanoyl-[2-[2-[6-[[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]amino]hexanoyl-[2-(methylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]acetate;N-methyldodecanamide
CID 91006471
9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
CID 139208949
ethyl 2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]acetate
CID 141178701
deuterioethyne;6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;9H-fluoren-9-ylmethyl N-[6-[6-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]hexan-2-ylamino]-6-oxohexyl]carbamate;hexane-1,5-diamine
CID 91269884
3-[cyclopropyl-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]propanoic acid
CID 165479645
ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 157220460
6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 21043295
9H-fluoren-9-ylmethyl N-(6-aminohexanoylamino)carbamate
CID 58794934

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[6-[[6-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-(methylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-6-oxohexyl]amino]-6-oxohexyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[6-[[6-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-(methylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-6-oxohexyl]amino]-6-oxohexyl]carbamate (CID 59809159) is 9H-fluoren-9-ylmethyl N-[6-[[6-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-(methylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-6-oxohexyl]amino]-6-oxohexyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[6-[[6-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-(methylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-6-oxohexyl]amino]-6-oxohexyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[6-[[6-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-(methylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-6-oxohexyl]amino]-6-oxohexyl]carbamate is CNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CCCCCNC(=O)CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CCCCCN)C(=O)CCCCCN)C(=O)CCCCCN)C(=O)CCCCCN.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[6-[[6-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-(methylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-6-oxohexyl]amino]-6-oxohexyl]carbamate?
The InChIKey is ZMXHEWWPUPSCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H113N15O12/c1-73-60(86)48-80(64(90)30-10-2-18-34-69)45-41-76-62(88)50-82(66(92)32-12-4-20-36-71)47-43-78-63(89)51-83(67(93)33-13-5-21-37-72)46-42-77-61(87)49-81(65(91)31-11-3-19-35-70)44-40-75-59(85)29-8-6-22-38-74-58(84)28-9-7-23-39-79-68(94)95-52-57-55-26-16-14-24-53(55)54-25-15-17-27-56(54)57/h14-17,24-27,57H,2-13,18-23,28-52,69-72H2,1H3,(H,73,86)(H,74,84)(H,75,85)(H,76,88)(H,77,87)(H,78,89)(H,79,94).
What are the key properties of 9H-fluoren-9-ylmethyl N-[6-[[6-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-(methylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-6-oxohexyl]amino]-6-oxohexyl]carbamate?
9H-fluoren-9-ylmethyl N-[6-[[6-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-(methylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-6-oxohexyl]amino]-6-oxohexyl]carbamate has a molecular weight of 1332.74 g/mol, XLogP of 2.36, 54 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[6-[[6-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-(methylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-6-oxohexyl]amino]-6-oxohexyl]carbamate is sourced from PubChem (CID 59809159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).