4-[4-[7-[4-(4-aminobutoxy)phenyl]-9-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-9-[3-(2-methoxyethoxy)propyl]fluoren-2-yl]phenoxy]butan-1-amine

C65H100N2O16 — CID 58473634

IUPAC4-[4-[7-[4-(4-aminobutoxy)phenyl]-9-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-9-[3-(2-methoxyethoxy)propyl]fluoren-2-yl]phenoxy]butan-1-amine
SMILESCOCCOCCCC1(CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c2cc(-c3ccc(OCCCCN)cc3)ccc2-c2ccc(-c3ccc(OCCCCN)cc3)cc21
InChIInChI=1S/C65H100N2O16/c1-68-29-31-70-25-7-21-65(22-8-26-71-33-34-73-37-38-75-41-42-77-45-46-79-49-50-81-52-51-80-48-47-78-44-43-76-40-39-74-36-35-72-32-30-69-2)63-53-57(55-9-15-59(16-10-55)82-27-5-3-23-66)13-19-61(63)62-20-14-58(54-64(62)65)56-11-17-60(18-12-56)83-28-6-4-24-67/h9-20,53-54H,3-8,21-52,66-67H2,1-2H3
InChIKeyVYKHRHKBQRKXGT-UHFFFAOYSA-N
MW1165.51 g/mol
LogP8.57
Rot. Bonds56

About 4-[4-[7-[4-(4-aminobutoxy)phenyl]-9-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-9-[3-(2-methoxyethoxy)propyl]fluoren-2-yl]phenoxy]butan-1-amine

4-[4-[7-[4-(4-aminobutoxy)phenyl]-9-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-9-[3-(2-methoxyethoxy)propyl]fluoren-2-yl]phenoxy]butan-1-amine (PubChem CID 58473634) has the molecular formula C65H100N2O16 and a molecular weight of 1165.51 g/mol. Its IUPAC name is 4-[4-[7-[4-(4-aminobutoxy)phenyl]-9-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-9-[3-(2-methoxyethoxy)propyl]fluoren-2-yl]phenoxy]butan-1-amine.

Molecular Properties

Compound Name4-[4-[7-[4-(4-aminobutoxy)phenyl]-9-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-9-[3-(2-methoxyethoxy)propyl]fluoren-2-yl]phenoxy]butan-1-amine
PubChem CID58473634
Molecular FormulaC65H100N2O16
Molecular Weight1165.51 g/mol
Exact Mass1164.71
IUPAC Name4-[4-[7-[4-(4-aminobutoxy)phenyl]-9-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-9-[3-(2-methoxyethoxy)propyl]fluoren-2-yl]phenoxy]butan-1-amine
SMILESCOCCOCCCC1(CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c2cc(-c3ccc(OCCCCN)cc3)ccc2-c2ccc(-c3ccc(OCCCCN)cc3)cc21
InChIInChI=1S/C65H100N2O16/c1-68-29-31-70-25-7-21-65(22-8-26-71-33-34-73-37-38-75-41-42-77-45-46-79-49-50-81-52-51-80-48-47-78-44-43-76-40-39-74-36-35-72-32-30-69-2)63-53-57(55-9-15-59(16-10-55)82-27-5-3-23-66)13-19-61(63)62-20-14-58(54-64(62)65)56-11-17-60(18-12-56)83-28-6-4-24-67/h9-20,53-54H,3-8,21-52,66-67H2,1-2H3
InChIKeyVYKHRHKBQRKXGT-UHFFFAOYSA-N
XLogP8.57
TPSA199.72 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds56
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001165.51
LogP ≤ 58.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 4-[4-[7-[4-(4-aminobutoxy)phenyl]-9-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-9-[3-(2-methoxyethoxy)propyl]fluoren-2-yl]phenoxy]butan-1-amine with MolForge

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[4-[4-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-phenylfluoren-2-yl]phenoxy]butyl]propanamide
CID 58479276
4-[4-[2,5-difluoro-4-[9-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-9-[3-(2-methoxyethoxy)propyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]phenyl]phenoxy]butan-1-amine
CID 123141321
tert-butyl 3-[2-[4-[7-[4-(4-acetamidobutoxy)phenyl]-9,9-bis[3-(2-methoxyethoxy)propyl]fluoren-2-yl]phenoxy]ethoxy]propanoate
CID 58473691
2-methylpropan-2-yl N-[4-[4-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butyl]carbamate
CID 58473593
2,7-dibromo-9,9-bis[3-(2-methoxyethoxy)propyl]fluorene
CID 58473533
[7-[7-[7-(hydroxymethyl)-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]methanol
CID 89030603
3-[9-(3-aminopropyl)-2,7-diphenylfluoren-9-yl]propan-1-amine
CID 102583704
4-[5-(2-methoxyethoxy)pentoxy]aniline
CID 3026839
6,11-bis[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluoren-2-yl]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene
CID 102358965
[6-[4-[4-[4-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-2,5-difluorophenyl]phenoxy]butylamino]-6-oxohexyl]azaniumylideneazanide
CID 169012641
6-[9,9-dibutyl-7-(4-cyanophenyl)fluoren-2-yl]oxyhexyl 2-methylprop-2-enoate
CID 101442988
6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
CID 101479425

Frequently Asked Questions

What is the IUPAC name of 4-[4-[7-[4-(4-aminobutoxy)phenyl]-9-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-9-[3-(2-methoxyethoxy)propyl]fluoren-2-yl]phenoxy]butan-1-amine?
The IUPAC name of 4-[4-[7-[4-(4-aminobutoxy)phenyl]-9-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-9-[3-(2-methoxyethoxy)propyl]fluoren-2-yl]phenoxy]butan-1-amine (CID 58473634) is 4-[4-[7-[4-(4-aminobutoxy)phenyl]-9-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-9-[3-(2-methoxyethoxy)propyl]fluoren-2-yl]phenoxy]butan-1-amine.
What is the SMILES notation for 4-[4-[7-[4-(4-aminobutoxy)phenyl]-9-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-9-[3-(2-methoxyethoxy)propyl]fluoren-2-yl]phenoxy]butan-1-amine?
The canonical SMILES for 4-[4-[7-[4-(4-aminobutoxy)phenyl]-9-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-9-[3-(2-methoxyethoxy)propyl]fluoren-2-yl]phenoxy]butan-1-amine is COCCOCCCC1(CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c2cc(-c3ccc(OCCCCN)cc3)ccc2-c2ccc(-c3ccc(OCCCCN)cc3)cc21.
What is the InChIKey of 4-[4-[7-[4-(4-aminobutoxy)phenyl]-9-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-9-[3-(2-methoxyethoxy)propyl]fluoren-2-yl]phenoxy]butan-1-amine?
The InChIKey is VYKHRHKBQRKXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H100N2O16/c1-68-29-31-70-25-7-21-65(22-8-26-71-33-34-73-37-38-75-41-42-77-45-46-79-49-50-81-52-51-80-48-47-78-44-43-76-40-39-74-36-35-72-32-30-69-2)63-53-57(55-9-15-59(16-10-55)82-27-5-3-23-66)13-19-61(63)62-20-14-58(54-64(62)65)56-11-17-60(18-12-56)83-28-6-4-24-67/h9-20,53-54H,3-8,21-52,66-67H2,1-2H3.
What are the key properties of 4-[4-[7-[4-(4-aminobutoxy)phenyl]-9-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-9-[3-(2-methoxyethoxy)propyl]fluoren-2-yl]phenoxy]butan-1-amine?
4-[4-[7-[4-(4-aminobutoxy)phenyl]-9-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-9-[3-(2-methoxyethoxy)propyl]fluoren-2-yl]phenoxy]butan-1-amine has a molecular weight of 1165.51 g/mol, XLogP of 8.57, 56 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[7-[4-(4-aminobutoxy)phenyl]-9-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-9-[3-(2-methoxyethoxy)propyl]fluoren-2-yl]phenoxy]butan-1-amine is sourced from PubChem (CID 58473634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).