[4-[4-[9-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;9-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-9-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]fluorene;4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]-3-phenylphenyl]-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-phenylbenzene;ethane;methanesulfonic acid

C242H208O32S8 — CID 158257887

IUPAC[4-[4-[9-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;9-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-9-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]fluorene;4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]-3-phenylphenyl]-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-phenylbenzene;ethane;methanesulfonic acid
SMILESCC.CC.CC.CC.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.Cc1ccc(C(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(C(=O)c6ccc(Cc7ccccc7)cc6)cc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1.Cc1ccc(C(=O)c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(C(=O)c7ccc(Cc8ccccc8)cc7)cc6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Cc7ccccc7)cc6)cc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(S(=O)(=O)c7ccc(Cc8ccccc8)cc7)cc6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C59H42O4.C58H42O4.C57H42O6S2.C56H42O6S2.4C2H6.4CH4O3S/c1-40-15-19-43(20-16-40)57(60)45-23-31-49(32-24-45)62-51-35-27-47(28-36-51)59(55-13-7-5-11-53(55)54-12-6-8-14-56(54)59)48-29-37-52(38-30-48)63-50-33-25-46(26-34-50)58(61)44-21-17-42(18-22-44)39-41-9-3-2-4-10-41;1-40-17-21-45(22-18-40)57(59)47-25-31-51(32-26-47)61-55-35-29-49(38-53(55)43-13-7-3-8-14-43)50-30-36-56(54(39-50)44-15-9-4-10-16-44)62-52-33-27-48(28-34-52)58(60)46-23-19-42(20-24-46)37-41-11-5-2-6-12-41;1-40-15-31-49(32-16-40)64(58,59)51-35-27-47(28-36-51)62-45-23-19-43(20-24-45)57(55-13-7-5-11-53(55)54-12-6-8-14-56(54)57)44-21-25-46(26-22-44)63-48-29-37-52(38-30-48)65(60,61)50-33-17-42(18-34-50)39-41-9-3-2-4-10-41;1-40-17-27-49(28-18-40)63(57,58)51-31-23-47(24-32-51)61-55-35-21-45(38-53(55)43-13-7-3-8-14-43)46-22-36-56(54(39-46)44-15-9-4-10-16-44)62-48-25-33-52(34-26-48)64(59,60)50-29-19-42(20-30-50)37-41-11-5-2-6-12-41;4*1-2;4*1-5(2,3)4/h2-38H,39H2,1H3;2-36,38-39H,37H2,1H3;2-38H,39H2,1H3;2-36,38-39H,37H2,1H3;4*1-2H3;4*1H3,(H,2,3,4)
InChIKeyQBHCFIGTBZTSNM-UHFFFAOYSA-N
MW3884.83 g/mol
LogP57.79
Rot. Bonds50

About [4-[4-[9-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;9-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-9-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]fluorene;4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]-3-phenylphenyl]-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-phenylbenzene;ethane;methanesulfonic acid

[4-[4-[9-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;9-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-9-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]fluorene;4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]-3-phenylphenyl]-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-phenylbenzene;ethane;methanesulfonic acid (PubChem CID 158257887) has the molecular formula C242H208O32S8 and a molecular weight of 3884.83 g/mol. Its IUPAC name is [4-[4-[9-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;9-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-9-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]fluorene;4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]-3-phenylphenyl]-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-phenylbenzene;ethane;methanesulfonic acid.

Molecular Properties

Compound Name[4-[4-[9-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;9-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-9-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]fluorene;4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]-3-phenylphenyl]-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-phenylbenzene;ethane;methanesulfonic acid
PubChem CID158257887
Molecular FormulaC242H208O32S8
Molecular Weight3884.83 g/mol
Exact Mass3881.24
IUPAC Name[4-[4-[9-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;9-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-9-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]fluorene;4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]-3-phenylphenyl]-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-phenylbenzene;ethane;methanesulfonic acid
SMILESCC.CC.CC.CC.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.Cc1ccc(C(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(C(=O)c6ccc(Cc7ccccc7)cc6)cc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1.Cc1ccc(C(=O)c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(C(=O)c7ccc(Cc8ccccc8)cc7)cc6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Cc7ccccc7)cc6)cc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(S(=O)(=O)c7ccc(Cc8ccccc8)cc7)cc6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C59H42O4.C58H42O4.C57H42O6S2.C56H42O6S2.4C2H6.4CH4O3S/c1-40-15-19-43(20-16-40)57(60)45-23-31-49(32-24-45)62-51-35-27-47(28-36-51)59(55-13-7-5-11-53(55)54-12-6-8-14-56(54)59)48-29-37-52(38-30-48)63-50-33-25-46(26-34-50)58(61)44-21-17-42(18-22-44)39-41-9-3-2-4-10-41;1-40-17-21-45(22-18-40)57(59)47-25-31-51(32-26-47)61-55-35-29-49(38-53(55)43-13-7-3-8-14-43)50-30-36-56(54(39-50)44-15-9-4-10-16-44)62-52-33-27-48(28-34-52)58(60)46-23-19-42(20-24-46)37-41-11-5-2-6-12-41;1-40-15-31-49(32-16-40)64(58,59)51-35-27-47(28-36-51)62-45-23-19-43(20-24-45)57(55-13-7-5-11-53(55)54-12-6-8-14-56(54)57)44-21-25-46(26-22-44)63-48-29-37-52(38-30-48)65(60,61)50-33-17-42(18-34-50)39-41-9-3-2-4-10-41;1-40-17-27-49(28-18-40)63(57,58)51-31-23-47(24-32-51)61-55-35-21-45(38-53(55)43-13-7-3-8-14-43)46-22-36-56(54(39-46)44-15-9-4-10-16-44)62-48-25-33-52(34-26-48)64(59,60)50-29-19-42(20-30-50)37-41-11-5-2-6-12-41;4*1-2;4*1-5(2,3)4/h2-38H,39H2,1H3;2-36,38-39H,37H2,1H3;2-38H,39H2,1H3;2-36,38-39H,37H2,1H3;4*1-2H3;4*1H3,(H,2,3,4)
InChIKeyQBHCFIGTBZTSNM-UHFFFAOYSA-N
XLogP57.79
TPSA496.16 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds50
Heavy Atoms282
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003884.83
LogP ≤ 557.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze [4-[4-[9-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;9-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-9-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]fluorene;4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]-3-phenylphenyl]-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-phenylbenzene;ethane;methanesulfonic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[9-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;9-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-9-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]fluorene;4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]-3-phenylphenyl]-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-phenylbenzene;ethane;methanesulfonic acid?
The IUPAC name of [4-[4-[9-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;9-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-9-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]fluorene;4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]-3-phenylphenyl]-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-phenylbenzene;ethane;methanesulfonic acid (CID 158257887) is [4-[4-[9-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;9-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-9-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]fluorene;4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]-3-phenylphenyl]-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-phenylbenzene;ethane;methanesulfonic acid.
What is the SMILES notation for [4-[4-[9-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;9-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-9-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]fluorene;4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]-3-phenylphenyl]-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-phenylbenzene;ethane;methanesulfonic acid?
The canonical SMILES for [4-[4-[9-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;9-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-9-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]fluorene;4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]-3-phenylphenyl]-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-phenylbenzene;ethane;methanesulfonic acid is CC.CC.CC.CC.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.Cc1ccc(C(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(C(=O)c6ccc(Cc7ccccc7)cc6)cc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1.Cc1ccc(C(=O)c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(C(=O)c7ccc(Cc8ccccc8)cc7)cc6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Cc7ccccc7)cc6)cc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(S(=O)(=O)c7ccc(Cc8ccccc8)cc7)cc6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[9-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;9-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-9-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]fluorene;4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]-3-phenylphenyl]-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-phenylbenzene;ethane;methanesulfonic acid?
The InChIKey is QBHCFIGTBZTSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42O4.C58H42O4.C57H42O6S2.C56H42O6S2.4C2H6.4CH4O3S/c1-40-15-19-43(20-16-40)57(60)45-23-31-49(32-24-45)62-51-35-27-47(28-36-51)59(55-13-7-5-11-53(55)54-12-6-8-14-56(54)59)48-29-37-52(38-30-48)63-50-33-25-46(26-34-50)58(61)44-21-17-42(18-22-44)39-41-9-3-2-4-10-41;1-40-17-21-45(22-18-40)57(59)47-25-31-51(32-26-47)61-55-35-29-49(38-53(55)43-13-7-3-8-14-43)50-30-36-56(54(39-50)44-15-9-4-10-16-44)62-52-33-27-48(28-34-52)58(60)46-23-19-42(20-24-46)37-41-11-5-2-6-12-41;1-40-15-31-49(32-16-40)64(58,59)51-35-27-47(28-36-51)62-45-23-19-43(20-24-45)57(55-13-7-5-11-53(55)54-12-6-8-14-56(54)57)44-21-25-46(26-22-44)63-48-29-37-52(38-30-48)65(60,61)50-33-17-42(18-34-50)39-41-9-3-2-4-10-41;1-40-17-27-49(28-18-40)63(57,58)51-31-23-47(24-32-51)61-55-35-21-45(38-53(55)43-13-7-3-8-14-43)46-22-36-56(54(39-46)44-15-9-4-10-16-44)62-48-25-33-52(34-26-48)64(59,60)50-29-19-42(20-30-50)37-41-11-5-2-6-12-41;4*1-2;4*1-5(2,3)4/h2-38H,39H2,1H3;2-36,38-39H,37H2,1H3;2-38H,39H2,1H3;2-36,38-39H,37H2,1H3;4*1-2H3;4*1H3,(H,2,3,4).
What are the key properties of [4-[4-[9-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;9-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-9-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]fluorene;4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]-3-phenylphenyl]-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-phenylbenzene;ethane;methanesulfonic acid?
[4-[4-[9-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;9-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-9-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]fluorene;4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]-3-phenylphenyl]-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-phenylbenzene;ethane;methanesulfonic acid has a molecular weight of 3884.83 g/mol, XLogP of 57.79, 50 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[9-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;9-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-9-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]fluorene;4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]-3-phenylphenyl]-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-phenylbenzene;ethane;methanesulfonic acid is sourced from PubChem (CID 158257887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).