8-[4-[5-[7-[5-[4-[8-(2-methylprop-2-enoyloxy)octoxy]phenyl]thiophen-2-yl]-9,9-dipropylfluoren-2-yl]thiophen-2-yl]phenoxy]octyl 2-methylprop-2-enoate

C63H74O6S2 — CID 101166959

IUPAC8-[4-[5-[7-[5-[4-[8-(2-methylprop-2-enoyloxy)octoxy]phenyl]thiophen-2-yl]-9,9-dipropylfluoren-2-yl]thiophen-2-yl]phenoxy]octyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCOc1ccc(-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc(-c6ccc(OCCCCCCCCOC(=O)C(=C)C)cc6)s5)ccc3-4)s2)cc1
InChIInChI=1S/C63H74O6S2/c1-7-37-63(38-8-2)55-43-49(59-35-33-57(70-59)47-21-27-51(28-22-47)66-39-17-13-9-11-15-19-41-68-61(64)45(3)4)25-31-53(55)54-32-26-50(44-56(54)63)60-36-34-58(71-60)48-23-29-52(30-24-48)67-40-18-14-10-12-16-20-42-69-62(65)46(5)6/h21-36,43-44H,3,5,7-20,37-42H2,1-2,4,6H3
InChIKeyLHVZDUAVMRFWKE-UHFFFAOYSA-N
MW991.41 g/mol
LogP18.02
Rot. Bonds30

About 8-[4-[5-[7-[5-[4-[8-(2-methylprop-2-enoyloxy)octoxy]phenyl]thiophen-2-yl]-9,9-dipropylfluoren-2-yl]thiophen-2-yl]phenoxy]octyl 2-methylprop-2-enoate

8-[4-[5-[7-[5-[4-[8-(2-methylprop-2-enoyloxy)octoxy]phenyl]thiophen-2-yl]-9,9-dipropylfluoren-2-yl]thiophen-2-yl]phenoxy]octyl 2-methylprop-2-enoate (PubChem CID 101166959) has the molecular formula C63H74O6S2 and a molecular weight of 991.41 g/mol. Its IUPAC name is 8-[4-[5-[7-[5-[4-[8-(2-methylprop-2-enoyloxy)octoxy]phenyl]thiophen-2-yl]-9,9-dipropylfluoren-2-yl]thiophen-2-yl]phenoxy]octyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name8-[4-[5-[7-[5-[4-[8-(2-methylprop-2-enoyloxy)octoxy]phenyl]thiophen-2-yl]-9,9-dipropylfluoren-2-yl]thiophen-2-yl]phenoxy]octyl 2-methylprop-2-enoate
PubChem CID101166959
Molecular FormulaC63H74O6S2
Molecular Weight991.41 g/mol
Exact Mass990.49
IUPAC Name8-[4-[5-[7-[5-[4-[8-(2-methylprop-2-enoyloxy)octoxy]phenyl]thiophen-2-yl]-9,9-dipropylfluoren-2-yl]thiophen-2-yl]phenoxy]octyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCOc1ccc(-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc(-c6ccc(OCCCCCCCCOC(=O)C(=C)C)cc6)s5)ccc3-4)s2)cc1
InChIInChI=1S/C63H74O6S2/c1-7-37-63(38-8-2)55-43-49(59-35-33-57(70-59)47-21-27-51(28-22-47)66-39-17-13-9-11-15-19-41-68-61(64)45(3)4)25-31-53(55)54-32-26-50(44-56(54)63)60-36-34-58(71-60)48-23-29-52(30-24-48)67-40-18-14-10-12-16-20-42-69-62(65)46(5)6/h21-36,43-44H,3,5,7-20,37-42H2,1-2,4,6H3
InChIKeyLHVZDUAVMRFWKE-UHFFFAOYSA-N
XLogP18.02
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds30
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.41
LogP ≤ 518.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 8-[4-[5-[7-[5-[4-[8-(2-methylprop-2-enoyloxy)octoxy]phenyl]thiophen-2-yl]-9,9-dipropylfluoren-2-yl]thiophen-2-yl]phenoxy]octyl 2-methylprop-2-enoate with MolForge

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Related Compounds

6-[4-[5-[5-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]phenyl]thiophen-2-yl]thiophen-2-yl]phenoxy]hexyl 2-methylprop-2-enoate
CID 59207320
2-(4-octoxyphenyl)-5-[7-[5-[5-[7-[5-[5-[7-[5-(4-octoxyphenyl)thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene
CID 102048532
6-[9,9-dibutyl-7-(4-cyanophenyl)fluoren-2-yl]oxyhexyl 2-methylprop-2-enoate
CID 101442988
2-(7-methyl-9,9-dioctylfluoren-2-yl)-5-(4-octoxyphenyl)thiophene
CID 71079155
10-[4-[5-[7'-[1,5-diethyl-7'-[2-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)thieno[3,2-b]thiophen-5-yl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]decyl 2-methylprop-2-enoate
CID 58112681
penta-1,4-dien-3-yl 11-[4-[5-[7-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-9,9-dipropylfluoren-2-yl]thiophen-2-yl]phenoxy]undecanoate
CID 58952869
7-[4-[5-[1,1,3,3-tetramethyl-7'-[4-[4-(4-methylphenyl)phenyl]phenyl]spiro[cyclopentane-2,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]heptyl 2-methylidenebutanoate
CID 58112747
5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate
CID 118286214
penta-1,4-dien-3-yl 9-[4-[5-[7-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-dipropylfluoren-2-yl]thiophen-2-yl]phenoxy]nonanoate
CID 58667658
2-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]-5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene
CID 137380526
5-[(7-propoxy-9H-fluoren-2-yl)oxy]pentyl 2-methylprop-2-enoate
CID 23527521
2-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]-5-[7-[5-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene
CID 102526876

Frequently Asked Questions

What is the IUPAC name of 8-[4-[5-[7-[5-[4-[8-(2-methylprop-2-enoyloxy)octoxy]phenyl]thiophen-2-yl]-9,9-dipropylfluoren-2-yl]thiophen-2-yl]phenoxy]octyl 2-methylprop-2-enoate?
The IUPAC name of 8-[4-[5-[7-[5-[4-[8-(2-methylprop-2-enoyloxy)octoxy]phenyl]thiophen-2-yl]-9,9-dipropylfluoren-2-yl]thiophen-2-yl]phenoxy]octyl 2-methylprop-2-enoate (CID 101166959) is 8-[4-[5-[7-[5-[4-[8-(2-methylprop-2-enoyloxy)octoxy]phenyl]thiophen-2-yl]-9,9-dipropylfluoren-2-yl]thiophen-2-yl]phenoxy]octyl 2-methylprop-2-enoate.
What is the SMILES notation for 8-[4-[5-[7-[5-[4-[8-(2-methylprop-2-enoyloxy)octoxy]phenyl]thiophen-2-yl]-9,9-dipropylfluoren-2-yl]thiophen-2-yl]phenoxy]octyl 2-methylprop-2-enoate?
The canonical SMILES for 8-[4-[5-[7-[5-[4-[8-(2-methylprop-2-enoyloxy)octoxy]phenyl]thiophen-2-yl]-9,9-dipropylfluoren-2-yl]thiophen-2-yl]phenoxy]octyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCOc1ccc(-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc(-c6ccc(OCCCCCCCCOC(=O)C(=C)C)cc6)s5)ccc3-4)s2)cc1.
What is the InChIKey of 8-[4-[5-[7-[5-[4-[8-(2-methylprop-2-enoyloxy)octoxy]phenyl]thiophen-2-yl]-9,9-dipropylfluoren-2-yl]thiophen-2-yl]phenoxy]octyl 2-methylprop-2-enoate?
The InChIKey is LHVZDUAVMRFWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H74O6S2/c1-7-37-63(38-8-2)55-43-49(59-35-33-57(70-59)47-21-27-51(28-22-47)66-39-17-13-9-11-15-19-41-68-61(64)45(3)4)25-31-53(55)54-32-26-50(44-56(54)63)60-36-34-58(71-60)48-23-29-52(30-24-48)67-40-18-14-10-12-16-20-42-69-62(65)46(5)6/h21-36,43-44H,3,5,7-20,37-42H2,1-2,4,6H3.
What are the key properties of 8-[4-[5-[7-[5-[4-[8-(2-methylprop-2-enoyloxy)octoxy]phenyl]thiophen-2-yl]-9,9-dipropylfluoren-2-yl]thiophen-2-yl]phenoxy]octyl 2-methylprop-2-enoate?
8-[4-[5-[7-[5-[4-[8-(2-methylprop-2-enoyloxy)octoxy]phenyl]thiophen-2-yl]-9,9-dipropylfluoren-2-yl]thiophen-2-yl]phenoxy]octyl 2-methylprop-2-enoate has a molecular weight of 991.41 g/mol, XLogP of 18.02, 30 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[5-[7-[5-[4-[8-(2-methylprop-2-enoyloxy)octoxy]phenyl]thiophen-2-yl]-9,9-dipropylfluoren-2-yl]thiophen-2-yl]phenoxy]octyl 2-methylprop-2-enoate is sourced from PubChem (CID 101166959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).