1-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[4-[4-[4-[4-[4-tert-butyl-3-(trifluoromethyl)phenyl]phenyl]-2,3-diphenyl-5,6-bis[3-(trifluoromethyl)phenyl]phenyl]phenyl]-2-(trifluoromethyl)phenoxy]phenyl]phenyl]-2,3,5,6-tetraphenylbenzene

C120H86F12O — CID 130271385

IUPAC1-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[4-[4-[4-[4-[4-tert-butyl-3-(trifluoromethyl)phenyl]phenyl]-2,3-diphenyl-5,6-bis[3-(trifluoromethyl)phenyl]phenyl]phenyl]-2-(trifluoromethyl)phenoxy]phenyl]phenyl]-2,3,5,6-tetraphenylbenzene
SMILESCC(C)(C)c1ccc(-c2ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccc(-c5ccc(Oc6ccc(-c7ccc(-c8c(-c9ccccc9)c(-c9ccccc9)c(-c9ccc(-c%10ccc(C(C)(C)C)c(C(F)(F)F)c%10)cc9)c(-c9cccc(C(F)(F)F)c9)c8-c8cccc(C(F)(F)F)c8)cc7)cc6C(F)(F)F)cc5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C120H86F12O/c1-115(2,3)95-65-59-77(60-66-95)75-43-51-87(52-44-75)109-103(81-27-13-7-14-28-81)105(83-31-17-9-18-32-83)110(106(84-33-19-10-20-34-84)104(109)82-29-15-8-16-30-82)88-53-45-76(46-54-88)78-61-67-98(68-62-78)133-102-70-64-92(74-101(102)120(130,131)132)80-49-57-90(58-50-80)112-108(86-37-23-12-24-38-86)107(85-35-21-11-22-36-85)111(89-55-47-79(48-56-89)91-63-69-99(116(4,5)6)100(73-91)119(127,128)129)113(93-39-25-41-96(71-93)117(121,122)123)114(112)94-40-26-42-97(72-94)118(124,125)126/h7-74H,1-6H3
InChIKeyWBPDXEOQKCIHJM-UHFFFAOYSA-N
MW1771.98 g/mol
LogP36.82
Rot. Bonds18

About 1-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[4-[4-[4-[4-[4-tert-butyl-3-(trifluoromethyl)phenyl]phenyl]-2,3-diphenyl-5,6-bis[3-(trifluoromethyl)phenyl]phenyl]phenyl]-2-(trifluoromethyl)phenoxy]phenyl]phenyl]-2,3,5,6-tetraphenylbenzene

1-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[4-[4-[4-[4-[4-tert-butyl-3-(trifluoromethyl)phenyl]phenyl]-2,3-diphenyl-5,6-bis[3-(trifluoromethyl)phenyl]phenyl]phenyl]-2-(trifluoromethyl)phenoxy]phenyl]phenyl]-2,3,5,6-tetraphenylbenzene (PubChem CID 130271385) has the molecular formula C120H86F12O and a molecular weight of 1771.98 g/mol. Its IUPAC name is 1-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[4-[4-[4-[4-[4-tert-butyl-3-(trifluoromethyl)phenyl]phenyl]-2,3-diphenyl-5,6-bis[3-(trifluoromethyl)phenyl]phenyl]phenyl]-2-(trifluoromethyl)phenoxy]phenyl]phenyl]-2,3,5,6-tetraphenylbenzene.

Molecular Properties

Compound Name1-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[4-[4-[4-[4-[4-tert-butyl-3-(trifluoromethyl)phenyl]phenyl]-2,3-diphenyl-5,6-bis[3-(trifluoromethyl)phenyl]phenyl]phenyl]-2-(trifluoromethyl)phenoxy]phenyl]phenyl]-2,3,5,6-tetraphenylbenzene
PubChem CID130271385
Molecular FormulaC120H86F12O
Molecular Weight1771.98 g/mol
Exact Mass1770.65
IUPAC Name1-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[4-[4-[4-[4-[4-tert-butyl-3-(trifluoromethyl)phenyl]phenyl]-2,3-diphenyl-5,6-bis[3-(trifluoromethyl)phenyl]phenyl]phenyl]-2-(trifluoromethyl)phenoxy]phenyl]phenyl]-2,3,5,6-tetraphenylbenzene
SMILESCC(C)(C)c1ccc(-c2ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccc(-c5ccc(Oc6ccc(-c7ccc(-c8c(-c9ccccc9)c(-c9ccccc9)c(-c9ccc(-c%10ccc(C(C)(C)C)c(C(F)(F)F)c%10)cc9)c(-c9cccc(C(F)(F)F)c9)c8-c8cccc(C(F)(F)F)c8)cc7)cc6C(F)(F)F)cc5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C120H86F12O/c1-115(2,3)95-65-59-77(60-66-95)75-43-51-87(52-44-75)109-103(81-27-13-7-14-28-81)105(83-31-17-9-18-32-83)110(106(84-33-19-10-20-34-84)104(109)82-29-15-8-16-30-82)88-53-45-76(46-54-88)78-61-67-98(68-62-78)133-102-70-64-92(74-101(102)120(130,131)132)80-49-57-90(58-50-80)112-108(86-37-23-12-24-38-86)107(85-35-21-11-22-36-85)111(89-55-47-79(48-56-89)91-63-69-99(116(4,5)6)100(73-91)119(127,128)129)113(93-39-25-41-96(71-93)117(121,122)123)114(112)94-40-26-42-97(72-94)118(124,125)126/h7-74H,1-6H3
InChIKeyWBPDXEOQKCIHJM-UHFFFAOYSA-N
XLogP36.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001771.98
LogP ≤ 536.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[4-[4-[4-[4-[4-tert-butyl-3-(trifluoromethyl)phenyl]phenyl]-2,3-diphenyl-5,6-bis[3-(trifluoromethyl)phenyl]phenyl]phenyl]-2-(trifluoromethyl)phenoxy]phenyl]phenyl]-2,3,5,6-tetraphenylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[4-[4-[4-[4-[4-tert-butyl-3-(trifluoromethyl)phenyl]phenyl]-2,3-diphenyl-5,6-bis[3-(trifluoromethyl)phenyl]phenyl]phenyl]-2-(trifluoromethyl)phenoxy]phenyl]phenyl]-2,3,5,6-tetraphenylbenzene?
The IUPAC name of 1-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[4-[4-[4-[4-[4-tert-butyl-3-(trifluoromethyl)phenyl]phenyl]-2,3-diphenyl-5,6-bis[3-(trifluoromethyl)phenyl]phenyl]phenyl]-2-(trifluoromethyl)phenoxy]phenyl]phenyl]-2,3,5,6-tetraphenylbenzene (CID 130271385) is 1-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[4-[4-[4-[4-[4-tert-butyl-3-(trifluoromethyl)phenyl]phenyl]-2,3-diphenyl-5,6-bis[3-(trifluoromethyl)phenyl]phenyl]phenyl]-2-(trifluoromethyl)phenoxy]phenyl]phenyl]-2,3,5,6-tetraphenylbenzene.
What is the SMILES notation for 1-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[4-[4-[4-[4-[4-tert-butyl-3-(trifluoromethyl)phenyl]phenyl]-2,3-diphenyl-5,6-bis[3-(trifluoromethyl)phenyl]phenyl]phenyl]-2-(trifluoromethyl)phenoxy]phenyl]phenyl]-2,3,5,6-tetraphenylbenzene?
The canonical SMILES for 1-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[4-[4-[4-[4-[4-tert-butyl-3-(trifluoromethyl)phenyl]phenyl]-2,3-diphenyl-5,6-bis[3-(trifluoromethyl)phenyl]phenyl]phenyl]-2-(trifluoromethyl)phenoxy]phenyl]phenyl]-2,3,5,6-tetraphenylbenzene is CC(C)(C)c1ccc(-c2ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccc(-c5ccc(Oc6ccc(-c7ccc(-c8c(-c9ccccc9)c(-c9ccccc9)c(-c9ccc(-c%10ccc(C(C)(C)C)c(C(F)(F)F)c%10)cc9)c(-c9cccc(C(F)(F)F)c9)c8-c8cccc(C(F)(F)F)c8)cc7)cc6C(F)(F)F)cc5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[4-[4-[4-[4-[4-tert-butyl-3-(trifluoromethyl)phenyl]phenyl]-2,3-diphenyl-5,6-bis[3-(trifluoromethyl)phenyl]phenyl]phenyl]-2-(trifluoromethyl)phenoxy]phenyl]phenyl]-2,3,5,6-tetraphenylbenzene?
The InChIKey is WBPDXEOQKCIHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H86F12O/c1-115(2,3)95-65-59-77(60-66-95)75-43-51-87(52-44-75)109-103(81-27-13-7-14-28-81)105(83-31-17-9-18-32-83)110(106(84-33-19-10-20-34-84)104(109)82-29-15-8-16-30-82)88-53-45-76(46-54-88)78-61-67-98(68-62-78)133-102-70-64-92(74-101(102)120(130,131)132)80-49-57-90(58-50-80)112-108(86-37-23-12-24-38-86)107(85-35-21-11-22-36-85)111(89-55-47-79(48-56-89)91-63-69-99(116(4,5)6)100(73-91)119(127,128)129)113(93-39-25-41-96(71-93)117(121,122)123)114(112)94-40-26-42-97(72-94)118(124,125)126/h7-74H,1-6H3.
What are the key properties of 1-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[4-[4-[4-[4-[4-tert-butyl-3-(trifluoromethyl)phenyl]phenyl]-2,3-diphenyl-5,6-bis[3-(trifluoromethyl)phenyl]phenyl]phenyl]-2-(trifluoromethyl)phenoxy]phenyl]phenyl]-2,3,5,6-tetraphenylbenzene?
1-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[4-[4-[4-[4-[4-tert-butyl-3-(trifluoromethyl)phenyl]phenyl]-2,3-diphenyl-5,6-bis[3-(trifluoromethyl)phenyl]phenyl]phenyl]-2-(trifluoromethyl)phenoxy]phenyl]phenyl]-2,3,5,6-tetraphenylbenzene has a molecular weight of 1771.98 g/mol, XLogP of 36.82, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[4-[4-[4-[4-[4-tert-butyl-3-(trifluoromethyl)phenyl]phenyl]-2,3-diphenyl-5,6-bis[3-(trifluoromethyl)phenyl]phenyl]phenyl]-2-(trifluoromethyl)phenoxy]phenyl]phenyl]-2,3,5,6-tetraphenylbenzene is sourced from PubChem (CID 130271385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).