1-[2-[5-[3,5-dichloro-2-[3-[3-chloro-4-[4-chloro-2-methyl-3-(2-methyl-4-phenylmethoxyphenyl)phenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]phenyl]-4-(2,4-dichlorophenyl)-2-(2,6-difluorophenyl)-3-[(2-fluorophenyl)methoxy]phenyl]-3,4-dimethylphenyl]-2,3,4,6-tetramethyl-5-phenylbenzene

C91H71Cl6F3O3 — CID 123733078

IUPAC1-[2-[5-[3,5-dichloro-2-[3-[3-chloro-4-[4-chloro-2-methyl-3-(2-methyl-4-phenylmethoxyphenyl)phenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]phenyl]-4-(2,4-dichlorophenyl)-2-(2,6-difluorophenyl)-3-[(2-fluorophenyl)methoxy]phenyl]-3,4-dimethylphenyl]-2,3,4,6-tetramethyl-5-phenylbenzene
SMILESCOc1ccc(-c2c(Cl)cc(Cl)cc2-c2cc(-c3c(-c4c(C)c(C)c(C)c(-c5ccccc5)c4C)ccc(C)c3C)c(-c3c(F)cccc3F)c(OCc3ccccc3F)c2-c2ccc(Cl)cc2Cl)c(C)c1-c1ccc(-c2ccc(Cl)c(-c3ccc(OCc4ccccc4)cc3C)c2C)c(Cl)c1C
InChIInChI=1S/C91H71Cl6F3O3/c1-48-29-32-70(82-53(6)51(4)52(5)81(57(82)10)59-23-16-13-17-24-59)83(50(48)3)73-45-72(87(69-33-30-61(92)43-75(69)95)91(103-47-60-25-18-19-26-77(60)98)88(73)89-78(99)27-20-28-79(89)100)71-42-62(93)44-76(96)86(71)66-38-40-80(101-11)85(55(66)8)67-35-36-68(90(97)56(67)9)65-37-39-74(94)84(54(65)7)64-34-31-63(41-49(64)2)102-46-58-21-14-12-15-22-58/h12-45H,46-47H2,1-11H3
InChIKeyBIOYBYHAMZQAKU-UHFFFAOYSA-N
MW1482.28 g/mol
LogP28.95
Rot. Bonds17

About 1-[2-[5-[3,5-dichloro-2-[3-[3-chloro-4-[4-chloro-2-methyl-3-(2-methyl-4-phenylmethoxyphenyl)phenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]phenyl]-4-(2,4-dichlorophenyl)-2-(2,6-difluorophenyl)-3-[(2-fluorophenyl)methoxy]phenyl]-3,4-dimethylphenyl]-2,3,4,6-tetramethyl-5-phenylbenzene

1-[2-[5-[3,5-dichloro-2-[3-[3-chloro-4-[4-chloro-2-methyl-3-(2-methyl-4-phenylmethoxyphenyl)phenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]phenyl]-4-(2,4-dichlorophenyl)-2-(2,6-difluorophenyl)-3-[(2-fluorophenyl)methoxy]phenyl]-3,4-dimethylphenyl]-2,3,4,6-tetramethyl-5-phenylbenzene (PubChem CID 123733078) has the molecular formula C91H71Cl6F3O3 and a molecular weight of 1482.28 g/mol. Its IUPAC name is 1-[2-[5-[3,5-dichloro-2-[3-[3-chloro-4-[4-chloro-2-methyl-3-(2-methyl-4-phenylmethoxyphenyl)phenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]phenyl]-4-(2,4-dichlorophenyl)-2-(2,6-difluorophenyl)-3-[(2-fluorophenyl)methoxy]phenyl]-3,4-dimethylphenyl]-2,3,4,6-tetramethyl-5-phenylbenzene.

Molecular Properties

Compound Name1-[2-[5-[3,5-dichloro-2-[3-[3-chloro-4-[4-chloro-2-methyl-3-(2-methyl-4-phenylmethoxyphenyl)phenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]phenyl]-4-(2,4-dichlorophenyl)-2-(2,6-difluorophenyl)-3-[(2-fluorophenyl)methoxy]phenyl]-3,4-dimethylphenyl]-2,3,4,6-tetramethyl-5-phenylbenzene
PubChem CID123733078
Molecular FormulaC91H71Cl6F3O3
Molecular Weight1482.28 g/mol
Exact Mass1478.35
IUPAC Name1-[2-[5-[3,5-dichloro-2-[3-[3-chloro-4-[4-chloro-2-methyl-3-(2-methyl-4-phenylmethoxyphenyl)phenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]phenyl]-4-(2,4-dichlorophenyl)-2-(2,6-difluorophenyl)-3-[(2-fluorophenyl)methoxy]phenyl]-3,4-dimethylphenyl]-2,3,4,6-tetramethyl-5-phenylbenzene
SMILESCOc1ccc(-c2c(Cl)cc(Cl)cc2-c2cc(-c3c(-c4c(C)c(C)c(C)c(-c5ccccc5)c4C)ccc(C)c3C)c(-c3c(F)cccc3F)c(OCc3ccccc3F)c2-c2ccc(Cl)cc2Cl)c(C)c1-c1ccc(-c2ccc(Cl)c(-c3ccc(OCc4ccccc4)cc3C)c2C)c(Cl)c1C
InChIInChI=1S/C91H71Cl6F3O3/c1-48-29-32-70(82-53(6)51(4)52(5)81(57(82)10)59-23-16-13-17-24-59)83(50(48)3)73-45-72(87(69-33-30-61(92)43-75(69)95)91(103-47-60-25-18-19-26-77(60)98)88(73)89-78(99)27-20-28-79(89)100)71-42-62(93)44-76(96)86(71)66-38-40-80(101-11)85(55(66)8)67-35-36-68(90(97)56(67)9)65-37-39-74(94)84(54(65)7)64-34-31-63(41-49(64)2)102-46-58-21-14-12-15-22-58/h12-45H,46-47H2,1-11H3
InChIKeyBIOYBYHAMZQAKU-UHFFFAOYSA-N
XLogP28.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001482.28
LogP ≤ 528.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[5-[3,5-dichloro-2-[3-[3-chloro-4-[4-chloro-2-methyl-3-(2-methyl-4-phenylmethoxyphenyl)phenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]phenyl]-4-(2,4-dichlorophenyl)-2-(2,6-difluorophenyl)-3-[(2-fluorophenyl)methoxy]phenyl]-3,4-dimethylphenyl]-2,3,4,6-tetramethyl-5-phenylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[3,5-dichloro-2-[3-[3-chloro-4-[4-chloro-2-methyl-3-(2-methyl-4-phenylmethoxyphenyl)phenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]phenyl]-4-(2,4-dichlorophenyl)-2-(2,6-difluorophenyl)-3-[(2-fluorophenyl)methoxy]phenyl]-3,4-dimethylphenyl]-2,3,4,6-tetramethyl-5-phenylbenzene?
The IUPAC name of 1-[2-[5-[3,5-dichloro-2-[3-[3-chloro-4-[4-chloro-2-methyl-3-(2-methyl-4-phenylmethoxyphenyl)phenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]phenyl]-4-(2,4-dichlorophenyl)-2-(2,6-difluorophenyl)-3-[(2-fluorophenyl)methoxy]phenyl]-3,4-dimethylphenyl]-2,3,4,6-tetramethyl-5-phenylbenzene (CID 123733078) is 1-[2-[5-[3,5-dichloro-2-[3-[3-chloro-4-[4-chloro-2-methyl-3-(2-methyl-4-phenylmethoxyphenyl)phenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]phenyl]-4-(2,4-dichlorophenyl)-2-(2,6-difluorophenyl)-3-[(2-fluorophenyl)methoxy]phenyl]-3,4-dimethylphenyl]-2,3,4,6-tetramethyl-5-phenylbenzene.
What is the SMILES notation for 1-[2-[5-[3,5-dichloro-2-[3-[3-chloro-4-[4-chloro-2-methyl-3-(2-methyl-4-phenylmethoxyphenyl)phenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]phenyl]-4-(2,4-dichlorophenyl)-2-(2,6-difluorophenyl)-3-[(2-fluorophenyl)methoxy]phenyl]-3,4-dimethylphenyl]-2,3,4,6-tetramethyl-5-phenylbenzene?
The canonical SMILES for 1-[2-[5-[3,5-dichloro-2-[3-[3-chloro-4-[4-chloro-2-methyl-3-(2-methyl-4-phenylmethoxyphenyl)phenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]phenyl]-4-(2,4-dichlorophenyl)-2-(2,6-difluorophenyl)-3-[(2-fluorophenyl)methoxy]phenyl]-3,4-dimethylphenyl]-2,3,4,6-tetramethyl-5-phenylbenzene is COc1ccc(-c2c(Cl)cc(Cl)cc2-c2cc(-c3c(-c4c(C)c(C)c(C)c(-c5ccccc5)c4C)ccc(C)c3C)c(-c3c(F)cccc3F)c(OCc3ccccc3F)c2-c2ccc(Cl)cc2Cl)c(C)c1-c1ccc(-c2ccc(Cl)c(-c3ccc(OCc4ccccc4)cc3C)c2C)c(Cl)c1C.
What is the InChIKey of 1-[2-[5-[3,5-dichloro-2-[3-[3-chloro-4-[4-chloro-2-methyl-3-(2-methyl-4-phenylmethoxyphenyl)phenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]phenyl]-4-(2,4-dichlorophenyl)-2-(2,6-difluorophenyl)-3-[(2-fluorophenyl)methoxy]phenyl]-3,4-dimethylphenyl]-2,3,4,6-tetramethyl-5-phenylbenzene?
The InChIKey is BIOYBYHAMZQAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H71Cl6F3O3/c1-48-29-32-70(82-53(6)51(4)52(5)81(57(82)10)59-23-16-13-17-24-59)83(50(48)3)73-45-72(87(69-33-30-61(92)43-75(69)95)91(103-47-60-25-18-19-26-77(60)98)88(73)89-78(99)27-20-28-79(89)100)71-42-62(93)44-76(96)86(71)66-38-40-80(101-11)85(55(66)8)67-35-36-68(90(97)56(67)9)65-37-39-74(94)84(54(65)7)64-34-31-63(41-49(64)2)102-46-58-21-14-12-15-22-58/h12-45H,46-47H2,1-11H3.
What are the key properties of 1-[2-[5-[3,5-dichloro-2-[3-[3-chloro-4-[4-chloro-2-methyl-3-(2-methyl-4-phenylmethoxyphenyl)phenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]phenyl]-4-(2,4-dichlorophenyl)-2-(2,6-difluorophenyl)-3-[(2-fluorophenyl)methoxy]phenyl]-3,4-dimethylphenyl]-2,3,4,6-tetramethyl-5-phenylbenzene?
1-[2-[5-[3,5-dichloro-2-[3-[3-chloro-4-[4-chloro-2-methyl-3-(2-methyl-4-phenylmethoxyphenyl)phenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]phenyl]-4-(2,4-dichlorophenyl)-2-(2,6-difluorophenyl)-3-[(2-fluorophenyl)methoxy]phenyl]-3,4-dimethylphenyl]-2,3,4,6-tetramethyl-5-phenylbenzene has a molecular weight of 1482.28 g/mol, XLogP of 28.95, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[3,5-dichloro-2-[3-[3-chloro-4-[4-chloro-2-methyl-3-(2-methyl-4-phenylmethoxyphenyl)phenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]phenyl]-4-(2,4-dichlorophenyl)-2-(2,6-difluorophenyl)-3-[(2-fluorophenyl)methoxy]phenyl]-3,4-dimethylphenyl]-2,3,4,6-tetramethyl-5-phenylbenzene is sourced from PubChem (CID 123733078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).