1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene

C162H168 — CID 162041275

IUPAC1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(-c9ccc(-c%10ccc(-c%11ccc(-c%12ccccc%12)cc%11)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(-c9ccc(-c%10ccc(-c%11ccccc%11)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C72H50.C66H46.12C2H6/c1-3-7-51(8-4-1)53-11-15-55(16-12-53)57-19-23-59(24-20-57)61-27-31-63(32-28-61)65-35-39-67(40-36-65)69-43-47-71(48-44-69)72-49-45-70(46-50-72)68-41-37-66(38-42-68)64-33-29-62(30-34-64)60-25-21-58(22-26-60)56-17-13-54(14-18-56)52-9-5-2-6-10-52;1-3-7-47(8-4-1)49-11-15-51(16-12-49)53-19-23-55(24-20-53)57-27-31-59(32-28-57)61-35-39-63(40-36-61)65-43-45-66(46-44-65)64-41-37-62(38-42-64)60-33-29-58(30-34-60)56-25-21-54(22-26-56)52-17-13-50(14-18-52)48-9-5-2-6-10-48;12*1-2/h1-50H;1-46H;12*1-2H3
InChIKeyYXHQAMJCZNCNIO-UHFFFAOYSA-N
MW2115.13 g/mol
LogP50.69
Rot. Bonds21

About 1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene

1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene (PubChem CID 162041275) has the molecular formula C162H168 and a molecular weight of 2115.13 g/mol. Its IUPAC name is 1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene.

Molecular Properties

Compound Name1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
PubChem CID162041275
Molecular FormulaC162H168
Molecular Weight2115.13 g/mol
Exact Mass2113.31
IUPAC Name1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(-c9ccc(-c%10ccc(-c%11ccc(-c%12ccccc%12)cc%11)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(-c9ccc(-c%10ccc(-c%11ccccc%11)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C72H50.C66H46.12C2H6/c1-3-7-51(8-4-1)53-11-15-55(16-12-53)57-19-23-59(24-20-57)61-27-31-63(32-28-61)65-35-39-67(40-36-65)69-43-47-71(48-44-69)72-49-45-70(46-50-72)68-41-37-66(38-42-68)64-33-29-62(30-34-64)60-25-21-58(22-26-60)56-17-13-54(14-18-56)52-9-5-2-6-10-52;1-3-7-47(8-4-1)49-11-15-51(16-12-49)53-19-23-55(24-20-53)57-27-31-59(32-28-57)61-35-39-63(40-36-61)65-43-45-66(46-44-65)64-41-37-62(38-42-64)60-33-29-58(30-34-60)56-25-21-54(22-26-56)52-17-13-50(14-18-52)48-9-5-2-6-10-48;12*1-2/h1-50H;1-46H;12*1-2H3
InChIKeyYXHQAMJCZNCNIO-UHFFFAOYSA-N
XLogP50.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002115.13
LogP ≤ 550.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene with MolForge

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Related Compounds

benzene;1,1'-biphenyl;ethane
CID 158550617
1,4-diphenylbenzene;ethane;methanamine
CID 168951795
benzene;1,1'-biphenyl;ethane;methane
CID 161215689
1,1'-biphenyl;ethane;hydrobromide
CID 90342014
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
ethane;1-methyl-4-phenylbenzene;toluene
CID 157456524
ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995
benzene;tris(1,1'-biphenyl)
CID 162155747
1,1'-biphenyl;ethane;naphthalene
CID 160802649

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene?
The IUPAC name of 1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene (CID 162041275) is 1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene.
What is the SMILES notation for 1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene?
The canonical SMILES for 1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(-c9ccc(-c%10ccc(-c%11ccc(-c%12ccccc%12)cc%11)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(-c9ccc(-c%10ccc(-c%11ccccc%11)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene?
The InChIKey is YXHQAMJCZNCNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50.C66H46.12C2H6/c1-3-7-51(8-4-1)53-11-15-55(16-12-53)57-19-23-59(24-20-57)61-27-31-63(32-28-61)65-35-39-67(40-36-65)69-43-47-71(48-44-69)72-49-45-70(46-50-72)68-41-37-66(38-42-68)64-33-29-62(30-34-64)60-25-21-58(22-26-60)56-17-13-54(14-18-56)52-9-5-2-6-10-52;1-3-7-47(8-4-1)49-11-15-51(16-12-49)53-19-23-55(24-20-53)57-27-31-59(32-28-57)61-35-39-63(40-36-61)65-43-45-66(46-44-65)64-41-37-62(38-42-64)60-33-29-58(30-34-60)56-25-21-54(22-26-56)52-17-13-50(14-18-52)48-9-5-2-6-10-48;12*1-2/h1-50H;1-46H;12*1-2H3.
What are the key properties of 1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene?
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene has a molecular weight of 2115.13 g/mol, XLogP of 50.69, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene is sourced from PubChem (CID 162041275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).