2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-6-[2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]benzo[de]isoquinoline-1,3-dione

C76H60N2O6 — CID 59005496

IUPAC2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-6-[2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]benzo[de]isoquinoline-1,3-dione
SMILESCC1(C)c2ccccc2-c2ccc(Oc3ccc(C4CCCC4)c(N4C(=O)c5cccc6c(-c7ccc8c9c(cccc79)C(=O)N(c7cc(Oc9ccc%10c(c9)C(C)(C)c9ccccc9-%10)ccc7C7CCCC7)C8=O)ccc(c56)C4=O)c3)cc21
InChIInChI=1S/C76H60N2O6/c1-75(2)63-25-11-9-19-53(63)55-33-29-45(39-65(55)75)83-47-27-31-49(43-15-5-6-16-43)67(41-47)77-71(79)59-23-13-21-57-51(35-37-61(69(57)59)73(77)81)52-36-38-62-70-58(52)22-14-24-60(70)72(80)78(74(62)82)68-42-48(28-32-50(68)44-17-7-8-18-44)84-46-30-34-56-54-20-10-12-26-64(54)76(3,4)66(56)40-46/h9-14,19-44H,5-8,15-18H2,1-4H3
InChIKeyWZFLWMUUFAENBS-UHFFFAOYSA-N
MW1097.32 g/mol
LogP18.77
Rot. Bonds9

About 2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-6-[2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]benzo[de]isoquinoline-1,3-dione

2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-6-[2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]benzo[de]isoquinoline-1,3-dione (PubChem CID 59005496) has the molecular formula C76H60N2O6 and a molecular weight of 1097.32 g/mol. Its IUPAC name is 2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-6-[2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-6-[2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]benzo[de]isoquinoline-1,3-dione
PubChem CID59005496
Molecular FormulaC76H60N2O6
Molecular Weight1097.32 g/mol
Exact Mass1096.45
IUPAC Name2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-6-[2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]benzo[de]isoquinoline-1,3-dione
SMILESCC1(C)c2ccccc2-c2ccc(Oc3ccc(C4CCCC4)c(N4C(=O)c5cccc6c(-c7ccc8c9c(cccc79)C(=O)N(c7cc(Oc9ccc%10c(c9)C(C)(C)c9ccccc9-%10)ccc7C7CCCC7)C8=O)ccc(c56)C4=O)c3)cc21
InChIInChI=1S/C76H60N2O6/c1-75(2)63-25-11-9-19-53(63)55-33-29-45(39-65(55)75)83-47-27-31-49(43-15-5-6-16-43)67(41-47)77-71(79)59-23-13-21-57-51(35-37-61(69(57)59)73(77)81)52-36-38-62-70-58(52)22-14-24-60(70)72(80)78(74(62)82)68-42-48(28-32-50(68)44-17-7-8-18-44)84-46-30-34-56-54-20-10-12-26-64(54)76(3,4)66(56)40-46/h9-14,19-44H,5-8,15-18H2,1-4H3
InChIKeyWZFLWMUUFAENBS-UHFFFAOYSA-N
XLogP18.77
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.32
LogP ≤ 518.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-6-[2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]benzo[de]isoquinoline-1,3-dione with MolForge

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Related Compounds

3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene
CID 58569056
3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene
CID 166019404
3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene
CID 58569042
11-(4-fluoranthen-3-ylnaphthalen-1-yl)-12,12-dimethylindeno[2,1-a]carbazole
CID 118580626
6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812120
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
CID 165060417
2-dichlorophosphoryloxy-9,9-dimethylfluorene
CID 59489047
3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene
CID 123260032
N-(9,9-dimethylfluoren-2-yl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 139498854
3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569073
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 170303625
9,9-dimethyl-2-(2-methylphenoxy)fluorene
CID 138495913

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-6-[2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-6-[2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]benzo[de]isoquinoline-1,3-dione (CID 59005496) is 2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-6-[2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-6-[2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-6-[2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]benzo[de]isoquinoline-1,3-dione is CC1(C)c2ccccc2-c2ccc(Oc3ccc(C4CCCC4)c(N4C(=O)c5cccc6c(-c7ccc8c9c(cccc79)C(=O)N(c7cc(Oc9ccc%10c(c9)C(C)(C)c9ccccc9-%10)ccc7C7CCCC7)C8=O)ccc(c56)C4=O)c3)cc21.
What is the InChIKey of 2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-6-[2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]benzo[de]isoquinoline-1,3-dione?
The InChIKey is WZFLWMUUFAENBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H60N2O6/c1-75(2)63-25-11-9-19-53(63)55-33-29-45(39-65(55)75)83-47-27-31-49(43-15-5-6-16-43)67(41-47)77-71(79)59-23-13-21-57-51(35-37-61(69(57)59)73(77)81)52-36-38-62-70-58(52)22-14-24-60(70)72(80)78(74(62)82)68-42-48(28-32-50(68)44-17-7-8-18-44)84-46-30-34-56-54-20-10-12-26-64(54)76(3,4)66(56)40-46/h9-14,19-44H,5-8,15-18H2,1-4H3.
What are the key properties of 2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-6-[2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]benzo[de]isoquinoline-1,3-dione?
2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-6-[2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]benzo[de]isoquinoline-1,3-dione has a molecular weight of 1097.32 g/mol, XLogP of 18.77, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-6-[2-[2-cyclopentyl-5-(9,9-dimethylfluoren-2-yl)oxyphenyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 59005496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).