3-[2-[7-[7-[9,9-diethyl-7-[9-(3-methylbutyl)-7-[7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]-9-pentylfluoren-2-yl]fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9-(3-methylbutyl)-9-pentylfluoren-2-yl]-7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate

C218H242O8 — CID 118652620

IUPAC3-[2-[7-[7-[9,9-diethyl-7-[9-(3-methylbutyl)-7-[7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]-9-pentylfluoren-2-yl]fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9-(3-methylbutyl)-9-pentylfluoren-2-yl]-7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate
SMILESC=CC(=O)OCCCC1(COC(=O)C=C)c2cc(-c3ccc4c(c3)C(CCCCC)(CCC(C)C)c3cc(-c5ccc6c(c5)C(CC)(CC)c5cc(-c7ccc8c(c7)C(CC)(CC)c7cc(-c9ccc%10c(c9)C(CCCCC)(CCC(C)C)c9cc(-c%11ccc%12c(c%11)C(CCCOC(=O)C=C)(COC(=O)C=C)c%11cc(-c%13ccc%14c(c%13)C(CCCCC)(CCC(C)C)c%13cc(-c%15ccc%16c(c%15)C(CCCCC)(CCC(C)C)c%15ccccc%15-%16)ccc%13-%14)ccc%11-%12)ccc9-%10)ccc7-8)ccc5-6)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCC)(CCC(C)C)c3cc(-c5ccc6c(c5)C(CCCCC)(CCC(C)C)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C218H242O8/c1-27-41-51-105-211(113-99-141(15)16)185-61-49-47-59-165(185)167-81-63-151(125-191(167)211)155-71-89-175-179-93-75-159(133-199(179)215(195(175)129-155,109-55-45-31-5)117-103-145(23)24)163-79-97-183-181-95-77-161(135-201(181)217(203(183)137-163,139-225-207(221)35-9)111-57-119-223-205(219)33-7)157-73-91-177-173-87-69-153(127-193(173)213(197(177)131-157,107-53-43-29-3)115-101-143(19)20)149-67-85-171-169-83-65-147(121-187(169)209(37-11,38-12)189(171)123-149)148-66-84-170-172-86-68-150(124-190(172)210(39-13,40-14)188(170)122-148)154-70-88-174-178-92-74-158(132-198(178)214(194(174)128-154,108-54-44-30-4)116-102-144(21)22)162-78-96-182-184-98-80-164(138-204(184)218(202(182)136-162,140-226-208(222)36-10)112-58-120-224-206(220)34-8)160-76-94-180-176-90-72-156(130-196(176)216(200(180)134-160,110-56-46-32-6)118-104-146(25)26)152-64-82-168-166-60-48-50-62-186(166)212(192(168)126-152,106-52-42-28-2)114-100-142(17)18/h33-36,47-50,59-98,121-138,141-146H,7-10,27-32,37-46,51-58,99-120,139-140H2,1-6,11-26H3
InChIKeyZOVPWXFFYYICRP-UHFFFAOYSA-N
MW2990.33 g/mol
LogP59.57
Rot. Bonds71

About 3-[2-[7-[7-[9,9-diethyl-7-[9-(3-methylbutyl)-7-[7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]-9-pentylfluoren-2-yl]fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9-(3-methylbutyl)-9-pentylfluoren-2-yl]-7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate

3-[2-[7-[7-[9,9-diethyl-7-[9-(3-methylbutyl)-7-[7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]-9-pentylfluoren-2-yl]fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9-(3-methylbutyl)-9-pentylfluoren-2-yl]-7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate (PubChem CID 118652620) has the molecular formula C218H242O8 and a molecular weight of 2990.33 g/mol. Its IUPAC name is 3-[2-[7-[7-[9,9-diethyl-7-[9-(3-methylbutyl)-7-[7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]-9-pentylfluoren-2-yl]fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9-(3-methylbutyl)-9-pentylfluoren-2-yl]-7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[2-[7-[7-[9,9-diethyl-7-[9-(3-methylbutyl)-7-[7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]-9-pentylfluoren-2-yl]fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9-(3-methylbutyl)-9-pentylfluoren-2-yl]-7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate
PubChem CID118652620
Molecular FormulaC218H242O8
Molecular Weight2990.33 g/mol
Exact Mass2987.85
IUPAC Name3-[2-[7-[7-[9,9-diethyl-7-[9-(3-methylbutyl)-7-[7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]-9-pentylfluoren-2-yl]fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9-(3-methylbutyl)-9-pentylfluoren-2-yl]-7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate
SMILESC=CC(=O)OCCCC1(COC(=O)C=C)c2cc(-c3ccc4c(c3)C(CCCCC)(CCC(C)C)c3cc(-c5ccc6c(c5)C(CC)(CC)c5cc(-c7ccc8c(c7)C(CC)(CC)c7cc(-c9ccc%10c(c9)C(CCCCC)(CCC(C)C)c9cc(-c%11ccc%12c(c%11)C(CCCOC(=O)C=C)(COC(=O)C=C)c%11cc(-c%13ccc%14c(c%13)C(CCCCC)(CCC(C)C)c%13cc(-c%15ccc%16c(c%15)C(CCCCC)(CCC(C)C)c%15ccccc%15-%16)ccc%13-%14)ccc%11-%12)ccc9-%10)ccc7-8)ccc5-6)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCC)(CCC(C)C)c3cc(-c5ccc6c(c5)C(CCCCC)(CCC(C)C)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C218H242O8/c1-27-41-51-105-211(113-99-141(15)16)185-61-49-47-59-165(185)167-81-63-151(125-191(167)211)155-71-89-175-179-93-75-159(133-199(179)215(195(175)129-155,109-55-45-31-5)117-103-145(23)24)163-79-97-183-181-95-77-161(135-201(181)217(203(183)137-163,139-225-207(221)35-9)111-57-119-223-205(219)33-7)157-73-91-177-173-87-69-153(127-193(173)213(197(177)131-157,107-53-43-29-3)115-101-143(19)20)149-67-85-171-169-83-65-147(121-187(169)209(37-11,38-12)189(171)123-149)148-66-84-170-172-86-68-150(124-190(172)210(39-13,40-14)188(170)122-148)154-70-88-174-178-92-74-158(132-198(178)214(194(174)128-154,108-54-44-30-4)116-102-144(21)22)162-78-96-182-184-98-80-164(138-204(184)218(202(182)136-162,140-226-208(222)36-10)112-58-120-224-206(220)34-8)160-76-94-180-176-90-72-156(130-196(176)216(200(180)134-160,110-56-46-32-6)118-104-146(25)26)152-64-82-168-166-60-48-50-62-186(166)212(192(168)126-152,106-52-42-28-2)114-100-142(17)18/h33-36,47-50,59-98,121-138,141-146H,7-10,27-32,37-46,51-58,99-120,139-140H2,1-6,11-26H3
InChIKeyZOVPWXFFYYICRP-UHFFFAOYSA-N
XLogP59.57
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds71
Heavy Atoms226
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002990.33
LogP ≤ 559.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[2-[7-[7-[9,9-diethyl-7-[9-(3-methylbutyl)-7-[7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]-9-pentylfluoren-2-yl]fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9-(3-methylbutyl)-9-pentylfluoren-2-yl]-7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[7-[7-[9,9-diethyl-7-[9-(3-methylbutyl)-7-[7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]-9-pentylfluoren-2-yl]fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9-(3-methylbutyl)-9-pentylfluoren-2-yl]-7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate?
The IUPAC name of 3-[2-[7-[7-[9,9-diethyl-7-[9-(3-methylbutyl)-7-[7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]-9-pentylfluoren-2-yl]fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9-(3-methylbutyl)-9-pentylfluoren-2-yl]-7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate (CID 118652620) is 3-[2-[7-[7-[9,9-diethyl-7-[9-(3-methylbutyl)-7-[7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]-9-pentylfluoren-2-yl]fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9-(3-methylbutyl)-9-pentylfluoren-2-yl]-7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate.
What is the SMILES notation for 3-[2-[7-[7-[9,9-diethyl-7-[9-(3-methylbutyl)-7-[7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]-9-pentylfluoren-2-yl]fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9-(3-methylbutyl)-9-pentylfluoren-2-yl]-7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate?
The canonical SMILES for 3-[2-[7-[7-[9,9-diethyl-7-[9-(3-methylbutyl)-7-[7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]-9-pentylfluoren-2-yl]fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9-(3-methylbutyl)-9-pentylfluoren-2-yl]-7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate is C=CC(=O)OCCCC1(COC(=O)C=C)c2cc(-c3ccc4c(c3)C(CCCCC)(CCC(C)C)c3cc(-c5ccc6c(c5)C(CC)(CC)c5cc(-c7ccc8c(c7)C(CC)(CC)c7cc(-c9ccc%10c(c9)C(CCCCC)(CCC(C)C)c9cc(-c%11ccc%12c(c%11)C(CCCOC(=O)C=C)(COC(=O)C=C)c%11cc(-c%13ccc%14c(c%13)C(CCCCC)(CCC(C)C)c%13cc(-c%15ccc%16c(c%15)C(CCCCC)(CCC(C)C)c%15ccccc%15-%16)ccc%13-%14)ccc%11-%12)ccc9-%10)ccc7-8)ccc5-6)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCC)(CCC(C)C)c3cc(-c5ccc6c(c5)C(CCCCC)(CCC(C)C)c5ccccc5-6)ccc3-4)cc21.
What is the InChIKey of 3-[2-[7-[7-[9,9-diethyl-7-[9-(3-methylbutyl)-7-[7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]-9-pentylfluoren-2-yl]fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9-(3-methylbutyl)-9-pentylfluoren-2-yl]-7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate?
The InChIKey is ZOVPWXFFYYICRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C218H242O8/c1-27-41-51-105-211(113-99-141(15)16)185-61-49-47-59-165(185)167-81-63-151(125-191(167)211)155-71-89-175-179-93-75-159(133-199(179)215(195(175)129-155,109-55-45-31-5)117-103-145(23)24)163-79-97-183-181-95-77-161(135-201(181)217(203(183)137-163,139-225-207(221)35-9)111-57-119-223-205(219)33-7)157-73-91-177-173-87-69-153(127-193(173)213(197(177)131-157,107-53-43-29-3)115-101-143(19)20)149-67-85-171-169-83-65-147(121-187(169)209(37-11,38-12)189(171)123-149)148-66-84-170-172-86-68-150(124-190(172)210(39-13,40-14)188(170)122-148)154-70-88-174-178-92-74-158(132-198(178)214(194(174)128-154,108-54-44-30-4)116-102-144(21)22)162-78-96-182-184-98-80-164(138-204(184)218(202(182)136-162,140-226-208(222)36-10)112-58-120-224-206(220)34-8)160-76-94-180-176-90-72-156(130-196(176)216(200(180)134-160,110-56-46-32-6)118-104-146(25)26)152-64-82-168-166-60-48-50-62-186(166)212(192(168)126-152,106-52-42-28-2)114-100-142(17)18/h33-36,47-50,59-98,121-138,141-146H,7-10,27-32,37-46,51-58,99-120,139-140H2,1-6,11-26H3.
What are the key properties of 3-[2-[7-[7-[9,9-diethyl-7-[9-(3-methylbutyl)-7-[7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]-9-pentylfluoren-2-yl]fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9-(3-methylbutyl)-9-pentylfluoren-2-yl]-7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate?
3-[2-[7-[7-[9,9-diethyl-7-[9-(3-methylbutyl)-7-[7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]-9-pentylfluoren-2-yl]fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9-(3-methylbutyl)-9-pentylfluoren-2-yl]-7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate has a molecular weight of 2990.33 g/mol, XLogP of 59.57, 71 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[7-[7-[9,9-diethyl-7-[9-(3-methylbutyl)-7-[7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]-9-pentylfluoren-2-yl]fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9-(3-methylbutyl)-9-pentylfluoren-2-yl]-7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate is sourced from PubChem (CID 118652620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).