3-ethyl-3-[[6-[7-[7-[2-[(3-ethyloxetan-3-yl)methoxy]ethyl]pyren-1-yl]-9-[(3-methyloxetan-3-yl)methoxymethyl]-9-[3-[(3-methyloxetan-3-yl)methoxy]propyl]fluoren-2-yl]pyren-2-yl]methoxymethyl]oxetane

C74H76O8 — CID 90394255

IUPAC3-ethyl-3-[[6-[7-[7-[2-[(3-ethyloxetan-3-yl)methoxy]ethyl]pyren-1-yl]-9-[(3-methyloxetan-3-yl)methoxymethyl]-9-[3-[(3-methyloxetan-3-yl)methoxy]propyl]fluoren-2-yl]pyren-2-yl]methoxymethyl]oxetane
SMILESCCC1(COCCc2cc3ccc4ccc(-c5ccc6c(c5)C(CCCOCC5(C)COC5)(COCC5(C)COC5)c5cc(-c7ccc8ccc9cc(COCC%10(CC)COC%10)cc%10ccc7c8c9%10)ccc5-6)c5ccc(c2)c3c45)COC1
InChIInChI=1S/C74H76O8/c1-5-72(43-81-44-72)41-76-27-24-48-28-54-10-8-50-12-18-58(62-22-16-56(29-48)66(54)68(50)62)52-14-20-60-61-21-15-53(33-65(61)74(64(60)32-52,47-80-40-71(4)38-79-39-71)25-7-26-75-35-70(3)36-78-37-70)59-19-13-51-9-11-55-30-49(34-77-42-73(6-2)45-82-46-73)31-57-17-23-63(59)69(51)67(55)57/h8-23,28-33H,5-7,24-27,34-47H2,1-4H3
InChIKeySUVBLZVLCFOTRC-UHFFFAOYSA-N
MW1093.41 g/mol
LogP15.90
Rot. Bonds23

About 3-ethyl-3-[[6-[7-[7-[2-[(3-ethyloxetan-3-yl)methoxy]ethyl]pyren-1-yl]-9-[(3-methyloxetan-3-yl)methoxymethyl]-9-[3-[(3-methyloxetan-3-yl)methoxy]propyl]fluoren-2-yl]pyren-2-yl]methoxymethyl]oxetane

3-ethyl-3-[[6-[7-[7-[2-[(3-ethyloxetan-3-yl)methoxy]ethyl]pyren-1-yl]-9-[(3-methyloxetan-3-yl)methoxymethyl]-9-[3-[(3-methyloxetan-3-yl)methoxy]propyl]fluoren-2-yl]pyren-2-yl]methoxymethyl]oxetane (PubChem CID 90394255) has the molecular formula C74H76O8 and a molecular weight of 1093.41 g/mol. Its IUPAC name is 3-ethyl-3-[[6-[7-[7-[2-[(3-ethyloxetan-3-yl)methoxy]ethyl]pyren-1-yl]-9-[(3-methyloxetan-3-yl)methoxymethyl]-9-[3-[(3-methyloxetan-3-yl)methoxy]propyl]fluoren-2-yl]pyren-2-yl]methoxymethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[[6-[7-[7-[2-[(3-ethyloxetan-3-yl)methoxy]ethyl]pyren-1-yl]-9-[(3-methyloxetan-3-yl)methoxymethyl]-9-[3-[(3-methyloxetan-3-yl)methoxy]propyl]fluoren-2-yl]pyren-2-yl]methoxymethyl]oxetane
PubChem CID90394255
Molecular FormulaC74H76O8
Molecular Weight1093.41 g/mol
Exact Mass1092.55
IUPAC Name3-ethyl-3-[[6-[7-[7-[2-[(3-ethyloxetan-3-yl)methoxy]ethyl]pyren-1-yl]-9-[(3-methyloxetan-3-yl)methoxymethyl]-9-[3-[(3-methyloxetan-3-yl)methoxy]propyl]fluoren-2-yl]pyren-2-yl]methoxymethyl]oxetane
SMILESCCC1(COCCc2cc3ccc4ccc(-c5ccc6c(c5)C(CCCOCC5(C)COC5)(COCC5(C)COC5)c5cc(-c7ccc8ccc9cc(COCC%10(CC)COC%10)cc%10ccc7c8c9%10)ccc5-6)c5ccc(c2)c3c45)COC1
InChIInChI=1S/C74H76O8/c1-5-72(43-81-44-72)41-76-27-24-48-28-54-10-8-50-12-18-58(62-22-16-56(29-48)66(54)68(50)62)52-14-20-60-61-21-15-53(33-65(61)74(64(60)32-52,47-80-40-71(4)38-79-39-71)25-7-26-75-35-70(3)36-78-37-70)59-19-13-51-9-11-55-30-49(34-77-42-73(6-2)45-82-46-73)31-57-17-23-63(59)69(51)67(55)57/h8-23,28-33H,5-7,24-27,34-47H2,1-4H3
InChIKeySUVBLZVLCFOTRC-UHFFFAOYSA-N
XLogP15.90
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.41
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-ethyl-3-[[6-[7-[7-[2-[(3-ethyloxetan-3-yl)methoxy]ethyl]pyren-1-yl]-9-[(3-methyloxetan-3-yl)methoxymethyl]-9-[3-[(3-methyloxetan-3-yl)methoxy]propyl]fluoren-2-yl]pyren-2-yl]methoxymethyl]oxetane with MolForge

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Related Compounds

3-[3-[9-ethenyl-2-[7-[2-[(3-ethyloxetan-3-yl)methoxy]ethyl]pyren-1-yl]-7-(7-methylpyren-1-yl)fluoren-9-yl]propoxymethyl]-3-ethyloxetane
CID 118655247
2-[3-[2,7-bis(7-tert-butylpyren-1-yl)-9-(oxiran-2-ylmethoxymethyl)fluoren-9-yl]propoxymethyl]oxirane
CID 118652630
2-[3-[2-(7-tert-butylpyren-1-yl)-9-(oxiran-2-ylmethoxymethyl)fluoren-9-yl]propoxymethyl]oxirane
CID 118652623
N-(4-butan-2-ylphenyl)-N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-4-methylaniline;1-(9,9-dihexyl-7-methylfluoren-2-yl)-8-[9,9-dihexyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]pyrene;N-[4-(9,9-dihexyl-7-phenylfluoren-2-yl)phenyl]-4-methyl-N-[4-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]phenyl]aniline;molecular hydrogen
CID 160632352
3-[6-[2-(9,9-dihexyl-7-methylfluoren-2-yl)-7-(9,9-dihexyl-7-phenylfluoren-2-yl)-9-[6-[(3-methyloxetan-3-yl)methoxy]hexyl]fluoren-9-yl]hexoxymethyl]-3-methyloxetane
CID 59273815
3-ethyl-3-[5-[[4-[4-[10-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]phenyl]anthracen-9-yl]naphthalen-1-yl]phenyl]methoxy]pentoxymethyl]oxetane
CID 137418163
4-[3-[2,7-bis(7-tert-butylpyren-1-yl)-9-[[4-hydroxy-3,5-bis(hydroxymethyl)phenoxy]methyl]fluoren-9-yl]propoxy]-2,6-bis(hydroxymethyl)phenol
CID 118652648
3-(butoxymethyl)-3-ethyloxetane;3-ethyl-3-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxymethyl]oxetane;3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane;3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 159566916
1-[7-(7-tert-butyl-9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]pyrene
CID 123355674
3-ethyl-3-[5-[[4-[10-[9-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]naphtho[2,3-b][1]benzothiol-2-yl]anthracen-9-yl]phenyl]methoxy]pentoxymethyl]oxetane
CID 137418170
4-[9,9-bis(2-phenylethyl)-7-pyren-4-ylfluoren-2-yl]pyrene
CID 166060127
3-ethyl-3-[5-[[4-[4-[10-[4-[4-[4-[10-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]phenyl]anthracen-9-yl]naphthalen-1-yl]phenoxy]phenyl]anthracen-9-yl]naphthalen-1-yl]phenyl]methoxy]pentoxymethyl]oxetane
CID 137418050

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[[6-[7-[7-[2-[(3-ethyloxetan-3-yl)methoxy]ethyl]pyren-1-yl]-9-[(3-methyloxetan-3-yl)methoxymethyl]-9-[3-[(3-methyloxetan-3-yl)methoxy]propyl]fluoren-2-yl]pyren-2-yl]methoxymethyl]oxetane?
The IUPAC name of 3-ethyl-3-[[6-[7-[7-[2-[(3-ethyloxetan-3-yl)methoxy]ethyl]pyren-1-yl]-9-[(3-methyloxetan-3-yl)methoxymethyl]-9-[3-[(3-methyloxetan-3-yl)methoxy]propyl]fluoren-2-yl]pyren-2-yl]methoxymethyl]oxetane (CID 90394255) is 3-ethyl-3-[[6-[7-[7-[2-[(3-ethyloxetan-3-yl)methoxy]ethyl]pyren-1-yl]-9-[(3-methyloxetan-3-yl)methoxymethyl]-9-[3-[(3-methyloxetan-3-yl)methoxy]propyl]fluoren-2-yl]pyren-2-yl]methoxymethyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[[6-[7-[7-[2-[(3-ethyloxetan-3-yl)methoxy]ethyl]pyren-1-yl]-9-[(3-methyloxetan-3-yl)methoxymethyl]-9-[3-[(3-methyloxetan-3-yl)methoxy]propyl]fluoren-2-yl]pyren-2-yl]methoxymethyl]oxetane?
The canonical SMILES for 3-ethyl-3-[[6-[7-[7-[2-[(3-ethyloxetan-3-yl)methoxy]ethyl]pyren-1-yl]-9-[(3-methyloxetan-3-yl)methoxymethyl]-9-[3-[(3-methyloxetan-3-yl)methoxy]propyl]fluoren-2-yl]pyren-2-yl]methoxymethyl]oxetane is CCC1(COCCc2cc3ccc4ccc(-c5ccc6c(c5)C(CCCOCC5(C)COC5)(COCC5(C)COC5)c5cc(-c7ccc8ccc9cc(COCC%10(CC)COC%10)cc%10ccc7c8c9%10)ccc5-6)c5ccc(c2)c3c45)COC1.
What is the InChIKey of 3-ethyl-3-[[6-[7-[7-[2-[(3-ethyloxetan-3-yl)methoxy]ethyl]pyren-1-yl]-9-[(3-methyloxetan-3-yl)methoxymethyl]-9-[3-[(3-methyloxetan-3-yl)methoxy]propyl]fluoren-2-yl]pyren-2-yl]methoxymethyl]oxetane?
The InChIKey is SUVBLZVLCFOTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H76O8/c1-5-72(43-81-44-72)41-76-27-24-48-28-54-10-8-50-12-18-58(62-22-16-56(29-48)66(54)68(50)62)52-14-20-60-61-21-15-53(33-65(61)74(64(60)32-52,47-80-40-71(4)38-79-39-71)25-7-26-75-35-70(3)36-78-37-70)59-19-13-51-9-11-55-30-49(34-77-42-73(6-2)45-82-46-73)31-57-17-23-63(59)69(51)67(55)57/h8-23,28-33H,5-7,24-27,34-47H2,1-4H3.
What are the key properties of 3-ethyl-3-[[6-[7-[7-[2-[(3-ethyloxetan-3-yl)methoxy]ethyl]pyren-1-yl]-9-[(3-methyloxetan-3-yl)methoxymethyl]-9-[3-[(3-methyloxetan-3-yl)methoxy]propyl]fluoren-2-yl]pyren-2-yl]methoxymethyl]oxetane?
3-ethyl-3-[[6-[7-[7-[2-[(3-ethyloxetan-3-yl)methoxy]ethyl]pyren-1-yl]-9-[(3-methyloxetan-3-yl)methoxymethyl]-9-[3-[(3-methyloxetan-3-yl)methoxy]propyl]fluoren-2-yl]pyren-2-yl]methoxymethyl]oxetane has a molecular weight of 1093.41 g/mol, XLogP of 15.90, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[[6-[7-[7-[2-[(3-ethyloxetan-3-yl)methoxy]ethyl]pyren-1-yl]-9-[(3-methyloxetan-3-yl)methoxymethyl]-9-[3-[(3-methyloxetan-3-yl)methoxy]propyl]fluoren-2-yl]pyren-2-yl]methoxymethyl]oxetane is sourced from PubChem (CID 90394255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).