2,10-ditert-butyltetraphenylene

C32H32 — CID 159208403

IUPAC2,10-ditert-butyltetraphenylene
SMILESCC(C)(C)c1ccc2c(c1)-c1ccccc1-c1ccc(C(C)(C)C)cc1-c1ccccc1-2
InChIInChI=1S/C32H32/c1-31(2,3)21-15-17-27-24-12-8-10-14-26(24)30-20-22(32(4,5)6)16-18-28(30)23-11-7-9-13-25(23)29(27)19-21/h7-20H,1-6H3/b27-24-,28-23-,29-25-,30-26-
InChIKeyALONATPQFHMUDB-KWQCYPPKSA-N
MW416.61 g/mol
LogP9.26
Rot. Bonds

About 2,10-ditert-butyltetraphenylene

2,10-ditert-butyltetraphenylene (PubChem CID 159208403) has the molecular formula C32H32 and a molecular weight of 416.61 g/mol. Its IUPAC name is 2,10-ditert-butyltetraphenylene.

Molecular Properties

Compound Name2,10-ditert-butyltetraphenylene
PubChem CID159208403
Molecular FormulaC32H32
Molecular Weight416.61 g/mol
Exact Mass416.25
IUPAC Name2,10-ditert-butyltetraphenylene
SMILESCC(C)(C)c1ccc2c(c1)-c1ccccc1-c1ccc(C(C)(C)C)cc1-c1ccccc1-2
InChIInChI=1S/C32H32/c1-31(2,3)21-15-17-27-24-12-8-10-14-26(24)30-20-22(32(4,5)6)16-18-28(30)23-11-7-9-13-25(23)29(27)19-21/h7-20H,1-6H3/b27-24-,28-23-,29-25-,30-26-
InChIKeyALONATPQFHMUDB-KWQCYPPKSA-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

Analyze 2,10-ditert-butyltetraphenylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-1,2-diphenylbenzene;sulfane
CID 174786417
bis(2-(4-tert-butylphenyl)biphenylene);phosphinous acid
CID 67686837
2,4-ditert-butyl-1-[2-[2-(2,4-ditert-butylphenyl)phenyl]phenyl]benzene;phosphonous acid
CID 68656808
4-[5-tert-butyl-2-(4-tert-butyl-2-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 66684505
2,3-ditert-butyltetraphenylene
CID 166497085
1,4-ditert-butyl-2-(2-phenylphenyl)benzene
CID 174563257
2-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]pyridine
CID 155908951
4-tert-butyl-1-fluoro-2-(2-fluorophenyl)benzene
CID 58049398
10,20-ditert-butyl-15-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2,4,6,8(13),9,11,14,16,18,20-undecaene
CID 162474300
3,6-ditert-butyl-9,9'-spirobi[fluorene]
CID 156624536
3,6-ditert-butyl-N-methylfluoren-9-imine
CID 163743423
1,2-bis(2,4-ditert-butylphenyl)-4-phenylbenzene
CID 141103881

Frequently Asked Questions

What is the IUPAC name of 2,10-ditert-butyltetraphenylene?
The IUPAC name of 2,10-ditert-butyltetraphenylene (CID 159208403) is 2,10-ditert-butyltetraphenylene.
What is the SMILES notation for 2,10-ditert-butyltetraphenylene?
The canonical SMILES for 2,10-ditert-butyltetraphenylene is CC(C)(C)c1ccc2c(c1)-c1ccccc1-c1ccc(C(C)(C)C)cc1-c1ccccc1-2.
What is the InChIKey of 2,10-ditert-butyltetraphenylene?
The InChIKey is ALONATPQFHMUDB-KWQCYPPKSA-N. The full InChI is InChI=1S/C32H32/c1-31(2,3)21-15-17-27-24-12-8-10-14-26(24)30-20-22(32(4,5)6)16-18-28(30)23-11-7-9-13-25(23)29(27)19-21/h7-20H,1-6H3/b27-24-,28-23-,29-25-,30-26-.
What are the key properties of 2,10-ditert-butyltetraphenylene?
2,10-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 2,10-ditert-butyltetraphenylene is sourced from PubChem (CID 159208403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).