1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene

C78H70 — CID 135033708

IUPAC1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
SMILESCc1cc(C)c(-c2ccc(-c3c(-c4ccccc4)c(-c4ccc(-c5c(C)cc(C)cc5C)cc4)c(-c4ccc(-c5c(C)cc(C)cc5C)cc4)c(-c4ccccc4)c3-c3ccc(-c4c(C)cc(C)cc4C)cc3)cc2)c(C)c1
InChIInChI=1S/C78H70/c1-47-39-51(5)69(52(6)40-47)61-23-31-65(32-24-61)75-73(59-19-15-13-16-20-59)77(67-35-27-63(28-36-67)71-55(9)43-49(3)44-56(71)10)78(68-37-29-64(30-38-68)72-57(11)45-50(4)46-58(72)12)74(60-21-17-14-18-22-60)76(75)66-33-25-62(26-34-66)70-53(7)41-48(2)42-54(70)8/h13-46H,1-12H3
InChIKeyYKACBJXBIBOXML-UHFFFAOYSA-N
MW1007.42 g/mol
LogP22.06
Rot. Bonds10

About 1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene

1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene (PubChem CID 135033708) has the molecular formula C78H70 and a molecular weight of 1007.42 g/mol. Its IUPAC name is 1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
PubChem CID135033708
Molecular FormulaC78H70
Molecular Weight1007.42 g/mol
Exact Mass1006.55
IUPAC Name1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
SMILESCc1cc(C)c(-c2ccc(-c3c(-c4ccccc4)c(-c4ccc(-c5c(C)cc(C)cc5C)cc4)c(-c4ccc(-c5c(C)cc(C)cc5C)cc4)c(-c4ccccc4)c3-c3ccc(-c4c(C)cc(C)cc4C)cc3)cc2)c(C)c1
InChIInChI=1S/C78H70/c1-47-39-51(5)69(52(6)40-47)61-23-31-65(32-24-61)75-73(59-19-15-13-16-20-59)77(67-35-27-63(28-36-67)71-55(9)43-49(3)44-56(71)10)78(68-37-29-64(30-38-68)72-57(11)45-50(4)46-58(72)12)74(60-21-17-14-18-22-60)76(75)66-33-25-62(26-34-66)70-53(7)41-48(2)42-54(70)8/h13-46H,1-12H3
InChIKeyYKACBJXBIBOXML-UHFFFAOYSA-N
XLogP22.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001007.42
LogP ≤ 522.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3,5-dimethyl-2-phenylphenyl)sulfanyl-3,5-dimethyl-2-phenylbenzene
CID 141085146
1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
2-(4-iodophenyl)-1,3,5-trimethylbenzene
CID 71396711
N-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline
CID 167515773
9-(3,5-dimethylphenyl)-10-phenylanthracene
CID 170561654
4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-dimethylphenyl]benzenethiol
CID 143197342
2-methyl-4-(4-methylphenyl)-1-phenylnaphthalene
CID 46919083
2,3,8-trimethyl-12-(4-methylphenyl)-5,11-diphenyl-6-(2,4,6-trimethylphenyl)tetracene
CID 162426532
1,2,5-trimethyl-3,4-diphenylbenzene
CID 19420158
1,2,3,5-tetramethyl-4-phenylbenzene
CID 14973977
4-phenyl-2,6-bis(2,4,6-trimethylphenyl)phenol
CID 140656741
9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene
CID 140762183

Frequently Asked Questions

What is the IUPAC name of 1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene?
The IUPAC name of 1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene (CID 135033708) is 1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene.
What is the SMILES notation for 1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene?
The canonical SMILES for 1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene is Cc1cc(C)c(-c2ccc(-c3c(-c4ccccc4)c(-c4ccc(-c5c(C)cc(C)cc5C)cc4)c(-c4ccc(-c5c(C)cc(C)cc5C)cc4)c(-c4ccccc4)c3-c3ccc(-c4c(C)cc(C)cc4C)cc3)cc2)c(C)c1.
What is the InChIKey of 1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene?
The InChIKey is YKACBJXBIBOXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H70/c1-47-39-51(5)69(52(6)40-47)61-23-31-65(32-24-61)75-73(59-19-15-13-16-20-59)77(67-35-27-63(28-36-67)71-55(9)43-49(3)44-56(71)10)78(68-37-29-64(30-38-68)72-57(11)45-50(4)46-58(72)12)74(60-21-17-14-18-22-60)76(75)66-33-25-62(26-34-66)70-53(7)41-48(2)42-54(70)8/h13-46H,1-12H3.
What are the key properties of 1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene?
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene has a molecular weight of 1007.42 g/mol, XLogP of 22.06, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene is sourced from PubChem (CID 135033708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).