1,2,3,4,5-pentatert-butyl-6-[2-(2-tert-butylphenyl)-3,4,5,6-tetraphenylphenyl]benzene

C66H78 — CID 90735400

IUPAC1,2,3,4,5-pentatert-butyl-6-[2-(2-tert-butylphenyl)-3,4,5,6-tetraphenylphenyl]benzene
SMILESCC(C)(C)c1ccccc1-c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1c(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C66H78/c1-61(2,3)48-42-32-31-41-47(48)53-51(45-37-27-21-28-38-45)49(43-33-23-19-24-34-43)50(44-35-25-20-26-36-44)52(46-39-29-22-30-40-46)54(53)55-56(62(4,5)6)58(64(10,11)12)60(66(16,17)18)59(65(13,14)15)57(55)63(7,8)9/h19-42H,1-18H3
InChIKeyXVRORDKOBHVUHJ-UHFFFAOYSA-N
MW871.35 g/mol
LogP19.47
Rot. Bonds6

About 1,2,3,4,5-pentatert-butyl-6-[2-(2-tert-butylphenyl)-3,4,5,6-tetraphenylphenyl]benzene

1,2,3,4,5-pentatert-butyl-6-[2-(2-tert-butylphenyl)-3,4,5,6-tetraphenylphenyl]benzene (PubChem CID 90735400) has the molecular formula C66H78 and a molecular weight of 871.35 g/mol. Its IUPAC name is 1,2,3,4,5-pentatert-butyl-6-[2-(2-tert-butylphenyl)-3,4,5,6-tetraphenylphenyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentatert-butyl-6-[2-(2-tert-butylphenyl)-3,4,5,6-tetraphenylphenyl]benzene
PubChem CID90735400
Molecular FormulaC66H78
Molecular Weight871.35 g/mol
Exact Mass870.61
IUPAC Name1,2,3,4,5-pentatert-butyl-6-[2-(2-tert-butylphenyl)-3,4,5,6-tetraphenylphenyl]benzene
SMILESCC(C)(C)c1ccccc1-c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1c(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C66H78/c1-61(2,3)48-42-32-31-41-47(48)53-51(45-37-27-21-28-38-45)49(43-33-23-19-24-34-43)50(44-35-25-20-26-36-44)52(46-39-29-22-30-40-46)54(53)55-56(62(4,5)6)58(64(10,11)12)60(66(16,17)18)59(65(13,14)15)57(55)63(7,8)9/h19-42H,1-18H3
InChIKeyXVRORDKOBHVUHJ-UHFFFAOYSA-N
XLogP19.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.35
LogP ≤ 519.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,4,5-tetrakis(2,6-ditert-butylphenyl)-3-phenylbenzene
CID 141273457
1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 141150554
1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene
CID 141427914
1,2-ditert-butyl-3-(4-phenylphenyl)benzene
CID 19802295
1,4-ditert-butyl-2,5-bis(2-tert-butylphenyl)-3,6-bis(3,5-ditert-butylphenyl)benzene
CID 176589329
1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane
CID 67329738
bis[2,4-bis(2-tert-butylphenyl)-3-phenylphenoxy]phosphane
CID 67204106
1-(2-tert-butylphenyl)-2,3,4,5,6-pentafluorobenzene
CID 54238945
1,2,3,4-tetraphenyltetraphenylene
CID 12596759
1-tert-butyl-2-methyl-3-phenylbenzene
CID 58759488
1-(4-tert-butylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
CID 140865930
1,2,3,5-tetrakis(2,6-ditert-butyl-3-ethylphenyl)-4-phenylbenzene
CID 141187238

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentatert-butyl-6-[2-(2-tert-butylphenyl)-3,4,5,6-tetraphenylphenyl]benzene?
The IUPAC name of 1,2,3,4,5-pentatert-butyl-6-[2-(2-tert-butylphenyl)-3,4,5,6-tetraphenylphenyl]benzene (CID 90735400) is 1,2,3,4,5-pentatert-butyl-6-[2-(2-tert-butylphenyl)-3,4,5,6-tetraphenylphenyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentatert-butyl-6-[2-(2-tert-butylphenyl)-3,4,5,6-tetraphenylphenyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentatert-butyl-6-[2-(2-tert-butylphenyl)-3,4,5,6-tetraphenylphenyl]benzene is CC(C)(C)c1ccccc1-c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1c(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of 1,2,3,4,5-pentatert-butyl-6-[2-(2-tert-butylphenyl)-3,4,5,6-tetraphenylphenyl]benzene?
The InChIKey is XVRORDKOBHVUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H78/c1-61(2,3)48-42-32-31-41-47(48)53-51(45-37-27-21-28-38-45)49(43-33-23-19-24-34-43)50(44-35-25-20-26-36-44)52(46-39-29-22-30-40-46)54(53)55-56(62(4,5)6)58(64(10,11)12)60(66(16,17)18)59(65(13,14)15)57(55)63(7,8)9/h19-42H,1-18H3.
What are the key properties of 1,2,3,4,5-pentatert-butyl-6-[2-(2-tert-butylphenyl)-3,4,5,6-tetraphenylphenyl]benzene?
1,2,3,4,5-pentatert-butyl-6-[2-(2-tert-butylphenyl)-3,4,5,6-tetraphenylphenyl]benzene has a molecular weight of 871.35 g/mol, XLogP of 19.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentatert-butyl-6-[2-(2-tert-butylphenyl)-3,4,5,6-tetraphenylphenyl]benzene is sourced from PubChem (CID 90735400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).