[4-[9-(4-benzoyloxyphenyl)fluoren-9-yl]phenyl] 4-[9-(4-acetylphenyl)fluoren-9-yl]benzoate;[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] acetate

C88H62O8 — CID 91347944

IUPAC[4-[9-(4-benzoyloxyphenyl)fluoren-9-yl]phenyl] 4-[9-(4-acetylphenyl)fluoren-9-yl]benzoate;[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] acetate
SMILESCC(=O)c1ccc(C2(c3ccc(C(=O)Oc4ccc(C5(c6ccc(OC(=O)c7ccccc7)cc6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc(C2(c3ccc(OC(C)=O)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C60H40O5.C28H22O3/c1-39(61)40-23-27-43(28-24-40)59(53-19-9-5-15-49(53)50-16-6-10-20-54(50)59)44-29-25-42(26-30-44)58(63)65-48-37-33-46(34-38-48)60(55-21-11-7-17-51(55)52-18-8-12-22-56(52)60)45-31-35-47(36-32-45)64-57(62)41-13-3-2-4-14-41;1-19(29)31-23-17-13-21(14-18-23)28(20-11-15-22(30-2)16-12-20)26-9-5-3-7-24(26)25-8-4-6-10-27(25)28/h2-38H,1H3;3-18H,1-2H3
InChIKeySNMZWKADFOAVJH-UHFFFAOYSA-N
MW1247.46 g/mol
LogP19.04
Rot. Bonds13

About [4-[9-(4-benzoyloxyphenyl)fluoren-9-yl]phenyl] 4-[9-(4-acetylphenyl)fluoren-9-yl]benzoate;[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] acetate

[4-[9-(4-benzoyloxyphenyl)fluoren-9-yl]phenyl] 4-[9-(4-acetylphenyl)fluoren-9-yl]benzoate;[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] acetate (PubChem CID 91347944) has the molecular formula C88H62O8 and a molecular weight of 1247.46 g/mol. Its IUPAC name is [4-[9-(4-benzoyloxyphenyl)fluoren-9-yl]phenyl] 4-[9-(4-acetylphenyl)fluoren-9-yl]benzoate;[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] acetate.

Molecular Properties

Compound Name[4-[9-(4-benzoyloxyphenyl)fluoren-9-yl]phenyl] 4-[9-(4-acetylphenyl)fluoren-9-yl]benzoate;[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] acetate
PubChem CID91347944
Molecular FormulaC88H62O8
Molecular Weight1247.46 g/mol
Exact Mass1246.44
IUPAC Name[4-[9-(4-benzoyloxyphenyl)fluoren-9-yl]phenyl] 4-[9-(4-acetylphenyl)fluoren-9-yl]benzoate;[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] acetate
SMILESCC(=O)c1ccc(C2(c3ccc(C(=O)Oc4ccc(C5(c6ccc(OC(=O)c7ccccc7)cc6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc(C2(c3ccc(OC(C)=O)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C60H40O5.C28H22O3/c1-39(61)40-23-27-43(28-24-40)59(53-19-9-5-15-49(53)50-16-6-10-20-54(50)59)44-29-25-42(26-30-44)58(63)65-48-37-33-46(34-38-48)60(55-21-11-7-17-51(55)52-18-8-12-22-56(52)60)45-31-35-47(36-32-45)64-57(62)41-13-3-2-4-14-41;1-19(29)31-23-17-13-21(14-18-23)28(20-11-15-22(30-2)16-12-20)26-9-5-3-7-24(26)25-8-4-6-10-27(25)28/h2-38H,1H3;3-18H,1-2H3
InChIKeySNMZWKADFOAVJH-UHFFFAOYSA-N
XLogP19.04
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001247.46
LogP ≤ 519.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [4-[9-(4-benzoyloxyphenyl)fluoren-9-yl]phenyl] 4-[9-(4-acetylphenyl)fluoren-9-yl]benzoate;[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] acetate with MolForge

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Related Compounds

[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] benzoate
CID 21349038
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] 3-acetylbenzoate
CID 58943087
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] 3,5-diacetylbenzoate
CID 59331100
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 155279972
[4-[9-[4-(3-methylbenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 3-methylbenzoate
CID 3091653
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
[4-[9-(4-methoxy-3,5-dimethylphenyl)fluoren-9-yl]-2,6-dimethylphenyl] 4-acetylbenzoate
CID 58943091
[4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate
CID 166041764
4-[9-(4-acetylphenyl)fluoren-9-yl]benzamide
CID 123463090
[4-[bis[4-[4-[4-[N-(9,9-diphenylfluoren-2-yl)-4-(4-methoxyphenyl)anilino]phenyl]benzoyl]oxyphenyl]methyl]phenyl] 4-[4-[N-(9,9-diphenylfluoren-2-yl)-4-(4-methoxyphenyl)anilino]phenyl]benzoate
CID 139978971
bis(4-acetyloxyphenyl)-[9,9-bis(4-acetyloxyphenyl)fluoren-2-yl]sulfanium
CID 58320903
[4-[4-[[9-[[4-[4-(4-methoxybenzoyl)oxyphenyl]phenyl]methyl]fluoren-9-yl]methyl]phenyl]phenyl] 4-methoxybenzoate
CID 149213964

Frequently Asked Questions

What is the IUPAC name of [4-[9-(4-benzoyloxyphenyl)fluoren-9-yl]phenyl] 4-[9-(4-acetylphenyl)fluoren-9-yl]benzoate;[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] acetate?
The IUPAC name of [4-[9-(4-benzoyloxyphenyl)fluoren-9-yl]phenyl] 4-[9-(4-acetylphenyl)fluoren-9-yl]benzoate;[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] acetate (CID 91347944) is [4-[9-(4-benzoyloxyphenyl)fluoren-9-yl]phenyl] 4-[9-(4-acetylphenyl)fluoren-9-yl]benzoate;[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] acetate.
What is the SMILES notation for [4-[9-(4-benzoyloxyphenyl)fluoren-9-yl]phenyl] 4-[9-(4-acetylphenyl)fluoren-9-yl]benzoate;[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] acetate?
The canonical SMILES for [4-[9-(4-benzoyloxyphenyl)fluoren-9-yl]phenyl] 4-[9-(4-acetylphenyl)fluoren-9-yl]benzoate;[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] acetate is CC(=O)c1ccc(C2(c3ccc(C(=O)Oc4ccc(C5(c6ccc(OC(=O)c7ccccc7)cc6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc(C2(c3ccc(OC(C)=O)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of [4-[9-(4-benzoyloxyphenyl)fluoren-9-yl]phenyl] 4-[9-(4-acetylphenyl)fluoren-9-yl]benzoate;[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] acetate?
The InChIKey is SNMZWKADFOAVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40O5.C28H22O3/c1-39(61)40-23-27-43(28-24-40)59(53-19-9-5-15-49(53)50-16-6-10-20-54(50)59)44-29-25-42(26-30-44)58(63)65-48-37-33-46(34-38-48)60(55-21-11-7-17-51(55)52-18-8-12-22-56(52)60)45-31-35-47(36-32-45)64-57(62)41-13-3-2-4-14-41;1-19(29)31-23-17-13-21(14-18-23)28(20-11-15-22(30-2)16-12-20)26-9-5-3-7-24(26)25-8-4-6-10-27(25)28/h2-38H,1H3;3-18H,1-2H3.
What are the key properties of [4-[9-(4-benzoyloxyphenyl)fluoren-9-yl]phenyl] 4-[9-(4-acetylphenyl)fluoren-9-yl]benzoate;[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] acetate?
[4-[9-(4-benzoyloxyphenyl)fluoren-9-yl]phenyl] 4-[9-(4-acetylphenyl)fluoren-9-yl]benzoate;[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] acetate has a molecular weight of 1247.46 g/mol, XLogP of 19.04, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[9-(4-benzoyloxyphenyl)fluoren-9-yl]phenyl] 4-[9-(4-acetylphenyl)fluoren-9-yl]benzoate;[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] acetate is sourced from PubChem (CID 91347944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).