ethane;1,2,3-trimethyl-5-[4-[3-phenyl-5-[3,4,5-tris(3,4,5-trimethylphenyl)phenyl]phenyl]-2,6-bis(3,4,5-trimethylphenyl)phenyl]benzene

C80H84 — CID 123939497

IUPACethane;1,2,3-trimethyl-5-[4-[3-phenyl-5-[3,4,5-tris(3,4,5-trimethylphenyl)phenyl]phenyl]-2,6-bis(3,4,5-trimethylphenyl)phenyl]benzene
SMILESCC.Cc1cc(-c2cc(-c3cc(-c4ccccc4)cc(-c4cc(-c5cc(C)c(C)c(C)c5)c(-c5cc(C)c(C)c(C)c5)c(-c5cc(C)c(C)c(C)c5)c4)c3)cc(-c3cc(C)c(C)c(C)c3)c2-c2cc(C)c(C)c(C)c2)cc(C)c1C
InChIInChI=1S/C78H78.C2H6/c1-43-24-67(25-44(2)55(43)13)73-39-65(40-74(68-26-45(3)56(14)46(4)27-68)77(73)71-32-51(9)59(17)52(10)33-71)63-36-62(61-22-20-19-21-23-61)37-64(38-63)66-41-75(69-28-47(5)57(15)48(6)29-69)78(72-34-53(11)60(18)54(12)35-72)76(42-66)70-30-49(7)58(16)50(8)31-70;1-2/h19-42H,1-18H3;1-2H3
InChIKeyFZNMOTACCGUMJS-UHFFFAOYSA-N
MW1045.55 g/mol
LogP23.27
Rot. Bonds9

About ethane;1,2,3-trimethyl-5-[4-[3-phenyl-5-[3,4,5-tris(3,4,5-trimethylphenyl)phenyl]phenyl]-2,6-bis(3,4,5-trimethylphenyl)phenyl]benzene

ethane;1,2,3-trimethyl-5-[4-[3-phenyl-5-[3,4,5-tris(3,4,5-trimethylphenyl)phenyl]phenyl]-2,6-bis(3,4,5-trimethylphenyl)phenyl]benzene (PubChem CID 123939497) has the molecular formula C80H84 and a molecular weight of 1045.55 g/mol. Its IUPAC name is ethane;1,2,3-trimethyl-5-[4-[3-phenyl-5-[3,4,5-tris(3,4,5-trimethylphenyl)phenyl]phenyl]-2,6-bis(3,4,5-trimethylphenyl)phenyl]benzene.

Molecular Properties

Compound Nameethane;1,2,3-trimethyl-5-[4-[3-phenyl-5-[3,4,5-tris(3,4,5-trimethylphenyl)phenyl]phenyl]-2,6-bis(3,4,5-trimethylphenyl)phenyl]benzene
PubChem CID123939497
Molecular FormulaC80H84
Molecular Weight1045.55 g/mol
Exact Mass1044.66
IUPAC Nameethane;1,2,3-trimethyl-5-[4-[3-phenyl-5-[3,4,5-tris(3,4,5-trimethylphenyl)phenyl]phenyl]-2,6-bis(3,4,5-trimethylphenyl)phenyl]benzene
SMILESCC.Cc1cc(-c2cc(-c3cc(-c4ccccc4)cc(-c4cc(-c5cc(C)c(C)c(C)c5)c(-c5cc(C)c(C)c(C)c5)c(-c5cc(C)c(C)c(C)c5)c4)c3)cc(-c3cc(C)c(C)c(C)c3)c2-c2cc(C)c(C)c(C)c2)cc(C)c1C
InChIInChI=1S/C78H78.C2H6/c1-43-24-67(25-44(2)55(43)13)73-39-65(40-74(68-26-45(3)56(14)46(4)27-68)77(73)71-32-51(9)59(17)52(10)33-71)63-36-62(61-22-20-19-21-23-61)37-64(38-63)66-41-75(69-28-47(5)57(15)48(6)29-69)78(72-34-53(11)60(18)54(12)35-72)76(42-66)70-30-49(7)58(16)50(8)31-70;1-2/h19-42H,1-18H3;1-2H3
InChIKeyFZNMOTACCGUMJS-UHFFFAOYSA-N
XLogP23.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.55
LogP ≤ 523.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;1,2,3-trimethyl-5-[4-[3-phenyl-5-[3,4,5-tris(3,4,5-trimethylphenyl)phenyl]phenyl]-2,6-bis(3,4,5-trimethylphenyl)phenyl]benzene with MolForge

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Related Compounds

5-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)phenyl]-5-phenylphenyl]-1,3-dimethyl-2-(3,4,5-trimethylphenyl)benzene;ethane
CID 123394751
1,2-dimethyl-5-phenyl-3-(3-phenylphenyl)benzene
CID 141408697
5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene
CID 58760870
ethane;1,3,5-triphenylbenzene
CID 142123051
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 19931086
1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 140710828
1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene
CID 58881209
2,6-dimethyl-4-(4-phenylphenyl)phenol
CID 22900078
1-(2,4-dimethylphenyl)-3,5-diphenylbenzene
CID 20766179
1,3,5-triphenylbenzene
CID 158331433
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

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,3-trimethyl-5-[4-[3-phenyl-5-[3,4,5-tris(3,4,5-trimethylphenyl)phenyl]phenyl]-2,6-bis(3,4,5-trimethylphenyl)phenyl]benzene?
The IUPAC name of ethane;1,2,3-trimethyl-5-[4-[3-phenyl-5-[3,4,5-tris(3,4,5-trimethylphenyl)phenyl]phenyl]-2,6-bis(3,4,5-trimethylphenyl)phenyl]benzene (CID 123939497) is ethane;1,2,3-trimethyl-5-[4-[3-phenyl-5-[3,4,5-tris(3,4,5-trimethylphenyl)phenyl]phenyl]-2,6-bis(3,4,5-trimethylphenyl)phenyl]benzene.
What is the SMILES notation for ethane;1,2,3-trimethyl-5-[4-[3-phenyl-5-[3,4,5-tris(3,4,5-trimethylphenyl)phenyl]phenyl]-2,6-bis(3,4,5-trimethylphenyl)phenyl]benzene?
The canonical SMILES for ethane;1,2,3-trimethyl-5-[4-[3-phenyl-5-[3,4,5-tris(3,4,5-trimethylphenyl)phenyl]phenyl]-2,6-bis(3,4,5-trimethylphenyl)phenyl]benzene is CC.Cc1cc(-c2cc(-c3cc(-c4ccccc4)cc(-c4cc(-c5cc(C)c(C)c(C)c5)c(-c5cc(C)c(C)c(C)c5)c(-c5cc(C)c(C)c(C)c5)c4)c3)cc(-c3cc(C)c(C)c(C)c3)c2-c2cc(C)c(C)c(C)c2)cc(C)c1C.
What is the InChIKey of ethane;1,2,3-trimethyl-5-[4-[3-phenyl-5-[3,4,5-tris(3,4,5-trimethylphenyl)phenyl]phenyl]-2,6-bis(3,4,5-trimethylphenyl)phenyl]benzene?
The InChIKey is FZNMOTACCGUMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H78.C2H6/c1-43-24-67(25-44(2)55(43)13)73-39-65(40-74(68-26-45(3)56(14)46(4)27-68)77(73)71-32-51(9)59(17)52(10)33-71)63-36-62(61-22-20-19-21-23-61)37-64(38-63)66-41-75(69-28-47(5)57(15)48(6)29-69)78(72-34-53(11)60(18)54(12)35-72)76(42-66)70-30-49(7)58(16)50(8)31-70;1-2/h19-42H,1-18H3;1-2H3.
What are the key properties of ethane;1,2,3-trimethyl-5-[4-[3-phenyl-5-[3,4,5-tris(3,4,5-trimethylphenyl)phenyl]phenyl]-2,6-bis(3,4,5-trimethylphenyl)phenyl]benzene?
ethane;1,2,3-trimethyl-5-[4-[3-phenyl-5-[3,4,5-tris(3,4,5-trimethylphenyl)phenyl]phenyl]-2,6-bis(3,4,5-trimethylphenyl)phenyl]benzene has a molecular weight of 1045.55 g/mol, XLogP of 23.27, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,3-trimethyl-5-[4-[3-phenyl-5-[3,4,5-tris(3,4,5-trimethylphenyl)phenyl]phenyl]-2,6-bis(3,4,5-trimethylphenyl)phenyl]benzene is sourced from PubChem (CID 123939497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).