(4-methoxyphenyl)-[4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]phenyl]-4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylbenzene;4-[4-methoxy-3-(trifluoromethyl)phenyl]-7-[3-methyl-4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]-2,1,3-benzothiadiazole

C213H153F3N2O9S2 — CID 159179849

IUPAC(4-methoxyphenyl)-[4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]phenyl]-4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylbenzene;4-[4-methoxy-3-(trifluoromethyl)phenyl]-7-[3-methyl-4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]-2,1,3-benzothiadiazole
SMILESCOc1ccc(-c2ccc(-c3ccc(Oc4ccc(-c5ccc(-c6c(-c7ccccc7)c(-c7ccccc7)c(-c7ccc(-c8ccc(C)cc8)cc7)c(-c7ccccc7)c6-c6ccccc6)cc5)cc4)c(C)c3)c3nsnc23)cc1C(F)(F)F.COc1ccc(C(=O)c2ccc(Oc3ccc(-c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccc(-c7ccc(C)cc7)cc6)c(-c6ccccc6)c5-c5ccccc5)cc4)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccc(-c7ccc(C)cc7)cc6)c(-c6ccccc6)c5-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C76H53F3N2O2S.C69H50O3.C68H50O4S/c1-48-24-26-50(27-25-48)51-28-32-58(33-29-51)72-68(54-16-8-4-9-17-54)70(56-20-12-6-13-21-56)73(71(57-22-14-7-15-23-57)69(72)55-18-10-5-11-19-55)59-34-30-52(31-35-59)53-36-40-62(41-37-53)83-66-44-38-60(46-49(66)2)63-42-43-64(75-74(63)80-84-81-75)61-39-45-67(82-3)65(47-61)76(77,78)79;1-47-23-25-48(26-24-47)49-27-31-56(32-28-49)67-63(52-15-7-3-8-16-52)65(54-19-11-5-12-20-54)68(66(55-21-13-6-14-22-55)64(67)53-17-9-4-10-18-53)57-33-29-50(30-34-57)51-35-43-61(44-36-51)72-62-45-39-59(40-46-62)69(70)58-37-41-60(71-2)42-38-58;1-47-23-25-48(26-24-47)49-27-31-56(32-28-49)67-63(52-15-7-3-8-16-52)65(54-19-11-5-12-20-54)68(66(55-21-13-6-14-22-55)64(67)53-17-9-4-10-18-53)57-33-29-50(30-34-57)51-35-37-59(38-36-51)72-60-41-45-62(46-42-60)73(69,70)61-43-39-58(71-2)40-44-61/h4-47H,1-3H3;3-46H,1-2H3;3-46H,1-2H3
InChIKeyKMTAYWCZAMTHHG-UHFFFAOYSA-N
MW3005.70 g/mol
LogP58.13
Rot. Bonds39

About (4-methoxyphenyl)-[4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]phenyl]-4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylbenzene;4-[4-methoxy-3-(trifluoromethyl)phenyl]-7-[3-methyl-4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]-2,1,3-benzothiadiazole

(4-methoxyphenyl)-[4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]phenyl]-4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylbenzene;4-[4-methoxy-3-(trifluoromethyl)phenyl]-7-[3-methyl-4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]-2,1,3-benzothiadiazole (PubChem CID 159179849) has the molecular formula C213H153F3N2O9S2 and a molecular weight of 3005.70 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]phenyl]-4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylbenzene;4-[4-methoxy-3-(trifluoromethyl)phenyl]-7-[3-methyl-4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]phenyl]-4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylbenzene;4-[4-methoxy-3-(trifluoromethyl)phenyl]-7-[3-methyl-4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]-2,1,3-benzothiadiazole
PubChem CID159179849
Molecular FormulaC213H153F3N2O9S2
Molecular Weight3005.70 g/mol
Exact Mass3003.10
IUPAC Name(4-methoxyphenyl)-[4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]phenyl]-4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylbenzene;4-[4-methoxy-3-(trifluoromethyl)phenyl]-7-[3-methyl-4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]-2,1,3-benzothiadiazole
SMILESCOc1ccc(-c2ccc(-c3ccc(Oc4ccc(-c5ccc(-c6c(-c7ccccc7)c(-c7ccccc7)c(-c7ccc(-c8ccc(C)cc8)cc7)c(-c7ccccc7)c6-c6ccccc6)cc5)cc4)c(C)c3)c3nsnc23)cc1C(F)(F)F.COc1ccc(C(=O)c2ccc(Oc3ccc(-c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccc(-c7ccc(C)cc7)cc6)c(-c6ccccc6)c5-c5ccccc5)cc4)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccc(-c7ccc(C)cc7)cc6)c(-c6ccccc6)c5-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C76H53F3N2O2S.C69H50O3.C68H50O4S/c1-48-24-26-50(27-25-48)51-28-32-58(33-29-51)72-68(54-16-8-4-9-17-54)70(56-20-12-6-13-21-56)73(71(57-22-14-7-15-23-57)69(72)55-18-10-5-11-19-55)59-34-30-52(31-35-59)53-36-40-62(41-37-53)83-66-44-38-60(46-49(66)2)63-42-43-64(75-74(63)80-84-81-75)61-39-45-67(82-3)65(47-61)76(77,78)79;1-47-23-25-48(26-24-47)49-27-31-56(32-28-49)67-63(52-15-7-3-8-16-52)65(54-19-11-5-12-20-54)68(66(55-21-13-6-14-22-55)64(67)53-17-9-4-10-18-53)57-33-29-50(30-34-57)51-35-43-61(44-36-51)72-62-45-39-59(40-46-62)69(70)58-37-41-60(71-2)42-38-58;1-47-23-25-48(26-24-47)49-27-31-56(32-28-49)67-63(52-15-7-3-8-16-52)65(54-19-11-5-12-20-54)68(66(55-21-13-6-14-22-55)64(67)53-17-9-4-10-18-53)57-33-29-50(30-34-57)51-35-37-59(38-36-51)72-60-41-45-62(46-42-60)73(69,70)61-43-39-58(71-2)40-44-61/h4-47H,1-3H3;3-46H,1-2H3;3-46H,1-2H3
InChIKeyKMTAYWCZAMTHHG-UHFFFAOYSA-N
XLogP58.13
TPSA132.37 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds39
Heavy Atoms229
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003005.70
LogP ≤ 558.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze (4-methoxyphenyl)-[4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]phenyl]-4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylbenzene;4-[4-methoxy-3-(trifluoromethyl)phenyl]-7-[3-methyl-4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]-2,1,3-benzothiadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]phenyl]-4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylbenzene;4-[4-methoxy-3-(trifluoromethyl)phenyl]-7-[3-methyl-4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]-2,1,3-benzothiadiazole?
The IUPAC name of (4-methoxyphenyl)-[4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]phenyl]-4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylbenzene;4-[4-methoxy-3-(trifluoromethyl)phenyl]-7-[3-methyl-4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]-2,1,3-benzothiadiazole (CID 159179849) is (4-methoxyphenyl)-[4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]phenyl]-4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylbenzene;4-[4-methoxy-3-(trifluoromethyl)phenyl]-7-[3-methyl-4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]-2,1,3-benzothiadiazole.
What is the SMILES notation for (4-methoxyphenyl)-[4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]phenyl]-4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylbenzene;4-[4-methoxy-3-(trifluoromethyl)phenyl]-7-[3-methyl-4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]-2,1,3-benzothiadiazole?
The canonical SMILES for (4-methoxyphenyl)-[4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]phenyl]-4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylbenzene;4-[4-methoxy-3-(trifluoromethyl)phenyl]-7-[3-methyl-4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]-2,1,3-benzothiadiazole is COc1ccc(-c2ccc(-c3ccc(Oc4ccc(-c5ccc(-c6c(-c7ccccc7)c(-c7ccccc7)c(-c7ccc(-c8ccc(C)cc8)cc7)c(-c7ccccc7)c6-c6ccccc6)cc5)cc4)c(C)c3)c3nsnc23)cc1C(F)(F)F.COc1ccc(C(=O)c2ccc(Oc3ccc(-c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccc(-c7ccc(C)cc7)cc6)c(-c6ccccc6)c5-c5ccccc5)cc4)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccc(-c7ccc(C)cc7)cc6)c(-c6ccccc6)c5-c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]phenyl]-4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylbenzene;4-[4-methoxy-3-(trifluoromethyl)phenyl]-7-[3-methyl-4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]-2,1,3-benzothiadiazole?
The InChIKey is KMTAYWCZAMTHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H53F3N2O2S.C69H50O3.C68H50O4S/c1-48-24-26-50(27-25-48)51-28-32-58(33-29-51)72-68(54-16-8-4-9-17-54)70(56-20-12-6-13-21-56)73(71(57-22-14-7-15-23-57)69(72)55-18-10-5-11-19-55)59-34-30-52(31-35-59)53-36-40-62(41-37-53)83-66-44-38-60(46-49(66)2)63-42-43-64(75-74(63)80-84-81-75)61-39-45-67(82-3)65(47-61)76(77,78)79;1-47-23-25-48(26-24-47)49-27-31-56(32-28-49)67-63(52-15-7-3-8-16-52)65(54-19-11-5-12-20-54)68(66(55-21-13-6-14-22-55)64(67)53-17-9-4-10-18-53)57-33-29-50(30-34-57)51-35-43-61(44-36-51)72-62-45-39-59(40-46-62)69(70)58-37-41-60(71-2)42-38-58;1-47-23-25-48(26-24-47)49-27-31-56(32-28-49)67-63(52-15-7-3-8-16-52)65(54-19-11-5-12-20-54)68(66(55-21-13-6-14-22-55)64(67)53-17-9-4-10-18-53)57-33-29-50(30-34-57)51-35-37-59(38-36-51)72-60-41-45-62(46-42-60)73(69,70)61-43-39-58(71-2)40-44-61/h4-47H,1-3H3;3-46H,1-2H3;3-46H,1-2H3.
What are the key properties of (4-methoxyphenyl)-[4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]phenyl]-4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylbenzene;4-[4-methoxy-3-(trifluoromethyl)phenyl]-7-[3-methyl-4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]-2,1,3-benzothiadiazole?
(4-methoxyphenyl)-[4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]phenyl]-4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylbenzene;4-[4-methoxy-3-(trifluoromethyl)phenyl]-7-[3-methyl-4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]-2,1,3-benzothiadiazole has a molecular weight of 3005.70 g/mol, XLogP of 58.13, 39 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]phenyl]-4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylbenzene;4-[4-methoxy-3-(trifluoromethyl)phenyl]-7-[3-methyl-4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]-2,1,3-benzothiadiazole is sourced from PubChem (CID 159179849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).