3-(4-tert-butylphenyl)-1-[2-[3-[3-[2-[2-chloro-3-(3-chlorophenyl)phenyl]-3-fluorophenyl]-2-fluorophenyl]-2-ethoxyphenyl]-4-methoxyphenyl]-2-(2-methoxyphenyl)-4-methyl-5-(4-methylphenyl)benzene

C70H58Cl2F2O3 — CID 123685865

IUPAC3-(4-tert-butylphenyl)-1-[2-[3-[3-[2-[2-chloro-3-(3-chlorophenyl)phenyl]-3-fluorophenyl]-2-fluorophenyl]-2-ethoxyphenyl]-4-methoxyphenyl]-2-(2-methoxyphenyl)-4-methyl-5-(4-methylphenyl)benzene
SMILESCCOc1c(-c2cc(OC)ccc2-c2cc(-c3ccc(C)cc3)c(C)c(-c3ccc(C(C)(C)C)cc3)c2-c2ccccc2OC)cccc1-c1cccc(-c2cccc(F)c2-c2cccc(-c3cccc(Cl)c3)c2Cl)c1F
InChIInChI=1S/C70H58Cl2F2O3/c1-9-77-69-55(54-23-14-22-53(68(54)74)52-21-16-27-62(73)65(52)58-26-13-20-50(67(58)72)46-17-12-18-48(71)39-46)24-15-25-56(69)60-40-49(75-7)37-38-51(60)61-41-59(44-31-29-42(2)30-32-44)43(3)64(45-33-35-47(36-34-45)70(4,5)6)66(61)57-19-10-11-28-63(57)76-8/h10-41H,9H2,1-8H3
InChIKeyDTMLJZXVHZVLEA-UHFFFAOYSA-N
MW1056.13 g/mol
LogP20.60
Rot. Bonds13

About 3-(4-tert-butylphenyl)-1-[2-[3-[3-[2-[2-chloro-3-(3-chlorophenyl)phenyl]-3-fluorophenyl]-2-fluorophenyl]-2-ethoxyphenyl]-4-methoxyphenyl]-2-(2-methoxyphenyl)-4-methyl-5-(4-methylphenyl)benzene

3-(4-tert-butylphenyl)-1-[2-[3-[3-[2-[2-chloro-3-(3-chlorophenyl)phenyl]-3-fluorophenyl]-2-fluorophenyl]-2-ethoxyphenyl]-4-methoxyphenyl]-2-(2-methoxyphenyl)-4-methyl-5-(4-methylphenyl)benzene (PubChem CID 123685865) has the molecular formula C70H58Cl2F2O3 and a molecular weight of 1056.13 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-1-[2-[3-[3-[2-[2-chloro-3-(3-chlorophenyl)phenyl]-3-fluorophenyl]-2-fluorophenyl]-2-ethoxyphenyl]-4-methoxyphenyl]-2-(2-methoxyphenyl)-4-methyl-5-(4-methylphenyl)benzene.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-1-[2-[3-[3-[2-[2-chloro-3-(3-chlorophenyl)phenyl]-3-fluorophenyl]-2-fluorophenyl]-2-ethoxyphenyl]-4-methoxyphenyl]-2-(2-methoxyphenyl)-4-methyl-5-(4-methylphenyl)benzene
PubChem CID123685865
Molecular FormulaC70H58Cl2F2O3
Molecular Weight1056.13 g/mol
Exact Mass1054.37
IUPAC Name3-(4-tert-butylphenyl)-1-[2-[3-[3-[2-[2-chloro-3-(3-chlorophenyl)phenyl]-3-fluorophenyl]-2-fluorophenyl]-2-ethoxyphenyl]-4-methoxyphenyl]-2-(2-methoxyphenyl)-4-methyl-5-(4-methylphenyl)benzene
SMILESCCOc1c(-c2cc(OC)ccc2-c2cc(-c3ccc(C)cc3)c(C)c(-c3ccc(C(C)(C)C)cc3)c2-c2ccccc2OC)cccc1-c1cccc(-c2cccc(F)c2-c2cccc(-c3cccc(Cl)c3)c2Cl)c1F
InChIInChI=1S/C70H58Cl2F2O3/c1-9-77-69-55(54-23-14-22-53(68(54)74)52-21-16-27-62(73)65(52)58-26-13-20-50(67(58)72)46-17-12-18-48(71)39-46)24-15-25-56(69)60-40-49(75-7)37-38-51(60)61-41-59(44-31-29-42(2)30-32-44)43(3)64(45-33-35-47(36-34-45)70(4,5)6)66(61)57-19-10-11-28-63(57)76-8/h10-41H,9H2,1-8H3
InChIKeyDTMLJZXVHZVLEA-UHFFFAOYSA-N
XLogP20.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001056.13
LogP ≤ 520.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-tert-butylphenyl)-1-[2-[3-[3-[2-[2-chloro-3-(3-chlorophenyl)phenyl]-3-fluorophenyl]-2-fluorophenyl]-2-ethoxyphenyl]-4-methoxyphenyl]-2-(2-methoxyphenyl)-4-methyl-5-(4-methylphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Chloro-9-[(4-fluorophenyl)methyl]-7-methoxyphenanthrene
CID 56590401
4-(tert-Butyl)-4''-chloro-3'-(4-chlorophenyl)-6'-(4-methoxyphenyl)-5'-phenyl-4'-(4-(trifluoromethyl)phenyl)-1,1':2',1''-terphenyl
CID 86341881
Anthra[9,1,2-cde]benzo[rst]pentaphene, trichloro-5,10-diethoxy-
CID 170387
2-Chloro-4-[1-[[3-(4-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]-1-methylbenzene
CID 20246979
4-[2-Chloro-4-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-methoxy-3,6-dimethylphenyl]phenol
CID 21049263
3-(2-Fluorophenyl)-3-(4-methoxyphenyl)-8-(2-phenylpropan-2-yl)benzo[f]chromene
CID 21361925
2-[2-[2-(3-Chloro-4-fluorophenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol
CID 23147104
2-Chloro-4-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-1-methylbenzene
CID 23313913
2-[2-[(4-Ethylcyclohexyl)methoxy]-3-fluoro-4-(4-fluorophenyl)phenyl]-4-fluoro-3-(4-fluorophenyl)-1-phenyl-5-[(4-propylcyclohexyl)methoxy]benzene
CID 54032597
2,2-Bis(3-fluoro-4-methoxyphenyl)-5-(3-methylpentan-3-yl)benzo[h]chromene
CID 54468711
1-Chloro-4-[4-[3-[4-[4-(difluoromethoxy)phenyl]phenyl]-3-(4-ethoxyphenyl)-2-(4-pentylphenyl)butyl]phenyl]-2-fluorobenzene
CID 57079591
2-Ethoxy-3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4-(4-phenylphenyl)benzene
CID 57097836

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-1-[2-[3-[3-[2-[2-chloro-3-(3-chlorophenyl)phenyl]-3-fluorophenyl]-2-fluorophenyl]-2-ethoxyphenyl]-4-methoxyphenyl]-2-(2-methoxyphenyl)-4-methyl-5-(4-methylphenyl)benzene?
The IUPAC name of 3-(4-tert-butylphenyl)-1-[2-[3-[3-[2-[2-chloro-3-(3-chlorophenyl)phenyl]-3-fluorophenyl]-2-fluorophenyl]-2-ethoxyphenyl]-4-methoxyphenyl]-2-(2-methoxyphenyl)-4-methyl-5-(4-methylphenyl)benzene (CID 123685865) is 3-(4-tert-butylphenyl)-1-[2-[3-[3-[2-[2-chloro-3-(3-chlorophenyl)phenyl]-3-fluorophenyl]-2-fluorophenyl]-2-ethoxyphenyl]-4-methoxyphenyl]-2-(2-methoxyphenyl)-4-methyl-5-(4-methylphenyl)benzene.
What is the SMILES notation for 3-(4-tert-butylphenyl)-1-[2-[3-[3-[2-[2-chloro-3-(3-chlorophenyl)phenyl]-3-fluorophenyl]-2-fluorophenyl]-2-ethoxyphenyl]-4-methoxyphenyl]-2-(2-methoxyphenyl)-4-methyl-5-(4-methylphenyl)benzene?
The canonical SMILES for 3-(4-tert-butylphenyl)-1-[2-[3-[3-[2-[2-chloro-3-(3-chlorophenyl)phenyl]-3-fluorophenyl]-2-fluorophenyl]-2-ethoxyphenyl]-4-methoxyphenyl]-2-(2-methoxyphenyl)-4-methyl-5-(4-methylphenyl)benzene is CCOc1c(-c2cc(OC)ccc2-c2cc(-c3ccc(C)cc3)c(C)c(-c3ccc(C(C)(C)C)cc3)c2-c2ccccc2OC)cccc1-c1cccc(-c2cccc(F)c2-c2cccc(-c3cccc(Cl)c3)c2Cl)c1F.
What is the InChIKey of 3-(4-tert-butylphenyl)-1-[2-[3-[3-[2-[2-chloro-3-(3-chlorophenyl)phenyl]-3-fluorophenyl]-2-fluorophenyl]-2-ethoxyphenyl]-4-methoxyphenyl]-2-(2-methoxyphenyl)-4-methyl-5-(4-methylphenyl)benzene?
The InChIKey is DTMLJZXVHZVLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H58Cl2F2O3/c1-9-77-69-55(54-23-14-22-53(68(54)74)52-21-16-27-62(73)65(52)58-26-13-20-50(67(58)72)46-17-12-18-48(71)39-46)24-15-25-56(69)60-40-49(75-7)37-38-51(60)61-41-59(44-31-29-42(2)30-32-44)43(3)64(45-33-35-47(36-34-45)70(4,5)6)66(61)57-19-10-11-28-63(57)76-8/h10-41H,9H2,1-8H3.
What are the key properties of 3-(4-tert-butylphenyl)-1-[2-[3-[3-[2-[2-chloro-3-(3-chlorophenyl)phenyl]-3-fluorophenyl]-2-fluorophenyl]-2-ethoxyphenyl]-4-methoxyphenyl]-2-(2-methoxyphenyl)-4-methyl-5-(4-methylphenyl)benzene?
3-(4-tert-butylphenyl)-1-[2-[3-[3-[2-[2-chloro-3-(3-chlorophenyl)phenyl]-3-fluorophenyl]-2-fluorophenyl]-2-ethoxyphenyl]-4-methoxyphenyl]-2-(2-methoxyphenyl)-4-methyl-5-(4-methylphenyl)benzene has a molecular weight of 1056.13 g/mol, XLogP of 20.60, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-1-[2-[3-[3-[2-[2-chloro-3-(3-chlorophenyl)phenyl]-3-fluorophenyl]-2-fluorophenyl]-2-ethoxyphenyl]-4-methoxyphenyl]-2-(2-methoxyphenyl)-4-methyl-5-(4-methylphenyl)benzene is sourced from PubChem (CID 123685865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).