2,3-ditert-butyltetraphenylene

C32H32 — CID 166497085

IUPAC2,3-ditert-butyltetraphenylene
SMILESCC(C)(C)c1cc2c(cc1C(C)(C)C)-c1ccccc1-c1ccccc1-c1ccccc1-2
InChIInChI=1S/C32H32/c1-31(2,3)29-19-27-25-17-11-9-15-23(25)21-13-7-8-14-22(21)24-16-10-12-18-26(24)28(27)20-30(29)32(4,5)6/h7-20H,1-6H3/b23-21-,24-22-,27-25-,28-26-
InChIKeyWELHPWHORUOEPD-QRONBFSESA-N
MW416.61 g/mol
LogP9.26
Rot. Bonds

About 2,3-ditert-butyltetraphenylene

2,3-ditert-butyltetraphenylene (PubChem CID 166497085) has the molecular formula C32H32 and a molecular weight of 416.61 g/mol. Its IUPAC name is 2,3-ditert-butyltetraphenylene.

Molecular Properties

Compound Name2,3-ditert-butyltetraphenylene
PubChem CID166497085
Molecular FormulaC32H32
Molecular Weight416.61 g/mol
Exact Mass416.25
IUPAC Name2,3-ditert-butyltetraphenylene
SMILESCC(C)(C)c1cc2c(cc1C(C)(C)C)-c1ccccc1-c1ccccc1-c1ccccc1-2
InChIInChI=1S/C32H32/c1-31(2,3)29-19-27-25-17-11-9-15-23(25)21-13-7-8-14-22(21)24-16-10-12-18-26(24)28(27)20-30(29)32(4,5)6/h7-20H,1-6H3/b23-21-,24-22-,27-25-,28-26-
InChIKeyWELHPWHORUOEPD-QRONBFSESA-N
XLogP9.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyltetraphenylene?
The IUPAC name of 2,3-ditert-butyltetraphenylene (CID 166497085) is 2,3-ditert-butyltetraphenylene.
What is the SMILES notation for 2,3-ditert-butyltetraphenylene?
The canonical SMILES for 2,3-ditert-butyltetraphenylene is CC(C)(C)c1cc2c(cc1C(C)(C)C)-c1ccccc1-c1ccccc1-c1ccccc1-2.
What is the InChIKey of 2,3-ditert-butyltetraphenylene?
The InChIKey is WELHPWHORUOEPD-QRONBFSESA-N. The full InChI is InChI=1S/C32H32/c1-31(2,3)29-19-27-25-17-11-9-15-23(25)21-13-7-8-14-22(21)24-16-10-12-18-26(24)28(27)20-30(29)32(4,5)6/h7-20H,1-6H3/b23-21-,24-22-,27-25-,28-26-.
What are the key properties of 2,3-ditert-butyltetraphenylene?
2,3-ditert-butyltetraphenylene has a molecular weight of 416.61 g/mol, XLogP of 9.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyltetraphenylene is sourced from PubChem (CID 166497085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).