1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene)

C72H106 — CID 175093014

IUPAC1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene)
SMILESCc1cc(C(C)(C)C)cc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/4C15H24.C12H10/c4*1-11-8-12(14(2,3)4)10-13(9-11)15(5,6)7;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h4*8-10H,1-7H3;1-10H
InChIKeyHALMDXHRHPJJCJ-UHFFFAOYSA-N
MW971.64 g/mol
LogP21.71
Rot. Bonds1

About 1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene)

1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene) (PubChem CID 175093014) has the molecular formula C72H106 and a molecular weight of 971.64 g/mol. Its IUPAC name is 1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene).

Molecular Properties

Compound Name1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene)
PubChem CID175093014
Molecular FormulaC72H106
Molecular Weight971.64 g/mol
Exact Mass970.83
IUPAC Name1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene)
SMILESCc1cc(C(C)(C)C)cc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/4C15H24.C12H10/c4*1-11-8-12(14(2,3)4)10-13(9-11)15(5,6)7;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h4*8-10H,1-7H3;1-10H
InChIKeyHALMDXHRHPJJCJ-UHFFFAOYSA-N
XLogP21.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.64
LogP ≤ 521.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tert-butylbenzene;1-tert-butyl-3,5-dimethylbenzene
CID 165052129
tert-butylbenzene;1,3,5-trimethylbenzene
CID 173429948
2-(3-methyl-5-phenylphenyl)propane-2-thiol
CID 167147962
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
5-tert-butyl-11-methyl-17,23-diphenylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
CID 10995863
benzene-1,4-diol;1,3-ditert-butyl-5-methylbenzene
CID 174888195
1,3-dimethyl-5-phenylbenzene;methane
CID 143325792
1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417
1,1'-biphenyl;toluene
CID 18366440
(3,5-ditert-butylphenyl)-triphenylboranuide
CID 140663046
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene)?
The IUPAC name of 1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene) (CID 175093014) is 1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene).
What is the SMILES notation for 1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene)?
The canonical SMILES for 1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene) is Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene)?
The InChIKey is HALMDXHRHPJJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H24.C12H10/c4*1-11-8-12(14(2,3)4)10-13(9-11)15(5,6)7;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h4*8-10H,1-7H3;1-10H.
What are the key properties of 1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene)?
1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene) has a molecular weight of 971.64 g/mol, XLogP of 21.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene) is sourced from PubChem (CID 175093014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).